4-N-[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclohexane-1,4-diamine

C22H25F3N2 — CID 71554260

IUPAC4-N-[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclohexane-1,4-diamine
SMILESNC1CCC(N[C@@H]2C[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C22H25F3N2/c23-22(24,25)17-3-1-2-16(12-17)14-4-6-15(7-5-14)20-13-21(20)27-19-10-8-18(26)9-11-19/h1-7,12,18-21,27H,8-11,13,26H2/t18?,19?,20-,21+/m0/s1
InChIKeyBINXOHRETRQOCW-NSKBAKJYSA-N
MW374.45 g/mol
LogP5.09
Rot. Bonds4

About 4-N-[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclohexane-1,4-diamine

4-N-[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclohexane-1,4-diamine (PubChem CID 71554260) has the molecular formula C22H25F3N2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-N-[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclohexane-1,4-diamine
PubChem CID71554260
Molecular FormulaC22H25F3N2
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name4-N-[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclohexane-1,4-diamine
SMILESNC1CCC(N[C@@H]2C[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C22H25F3N2/c23-22(24,25)17-3-1-2-16(12-17)14-4-6-15(7-5-14)20-13-21(20)27-19-10-8-18(26)9-11-19/h1-7,12,18-21,27H,8-11,13,26H2/t18?,19?,20-,21+/m0/s1
InChIKeyBINXOHRETRQOCW-NSKBAKJYSA-N
XLogP5.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.45
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-N-[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclohexane-1,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclohexane-1,4-diamine (CID 71554260) is 4-N-[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclohexane-1,4-diamine is NC1CCC(N[C@@H]2C[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1.
What is the InChIKey of 4-N-[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclohexane-1,4-diamine?
The InChIKey is BINXOHRETRQOCW-NSKBAKJYSA-N. The full InChI is InChI=1S/C22H25F3N2/c23-22(24,25)17-3-1-2-16(12-17)14-4-6-15(7-5-14)20-13-21(20)27-19-10-8-18(26)9-11-19/h1-7,12,18-21,27H,8-11,13,26H2/t18?,19?,20-,21+/m0/s1.
What are the key properties of 4-N-[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclohexane-1,4-diamine?
4-N-[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclohexane-1,4-diamine has a molecular weight of 374.45 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 71554260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).