4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid

C20H26F3NO3 — CID 138677722

IUPAC4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid
SMILESC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCC(O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25NO.C2HF3O2/c1-13(11-14-5-3-2-4-6-14)17-12-18(17)19-15-7-9-16(20)10-8-15;3-2(4,5)1(6)7/h2-6,11,15-20H,7-10,12H2,1H3;(H,6,7)/b13-11+;/t15?,16?,17-,18+;/m0./s1
InChIKeyAVCRFLJNUXISPD-AVQLWEDRSA-N
MW385.43 g/mol
LogP4.00
Rot. Bonds4

About 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid

4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid (PubChem CID 138677722) has the molecular formula C20H26F3NO3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid
PubChem CID138677722
Molecular FormulaC20H26F3NO3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid
SMILESC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCC(O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25NO.C2HF3O2/c1-13(11-14-5-3-2-4-6-14)17-12-18(17)19-15-7-9-16(20)10-8-15;3-2(4,5)1(6)7/h2-6,11,15-20H,7-10,12H2,1H3;(H,6,7)/b13-11+;/t15?,16?,17-,18+;/m0./s1
InChIKeyAVCRFLJNUXISPD-AVQLWEDRSA-N
XLogP4.00
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide;2,2,2-trifluoroacetic acid
CID 138677638
2,2-dimethyl-3-[[4-[[(2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]propanoic acid
CID 138711790
2-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]acetic acid
CID 122641059
tert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine
CID 160686068
N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]azetidin-3-amine
CID 122641214
5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol
CID 138711292
methyl 2-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]acetate;dihydrochloride
CID 122641007
N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 122641169
[4-[[2-[(E)-1-(4-cyanophenyl)prop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamic acid
CID 122640922
4-[[4-[[(1R,2S)-2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]methyl]benzoic acid;bis(2,2,2-trifluoroacetic acid)
CID 122640940
3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine
CID 145176328
5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]methyl]pyridine-2-carboxylic acid;dihydrochloride
CID 122641315

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid (CID 138677722) is 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid is C/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCC(O)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid?
The InChIKey is AVCRFLJNUXISPD-AVQLWEDRSA-N. The full InChI is InChI=1S/C18H25NO.C2HF3O2/c1-13(11-14-5-3-2-4-6-14)17-12-18(17)19-15-7-9-16(20)10-8-15;3-2(4,5)1(6)7/h2-6,11,15-20H,7-10,12H2,1H3;(H,6,7)/b13-11+;/t15?,16?,17-,18+;/m0./s1.
What are the key properties of 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid?
4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid has a molecular weight of 385.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 138677722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).