2-amino-1-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]propan-1-ol

C18H26F3NO2 — CID 68852821

IUPAC2-amino-1-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]propan-1-ol
SMILESCO[C@H](c1ccc(C(F)(F)F)cc1C(O)C(C)N)C1CCCCC1
InChIInChI=1S/C18H26F3NO2/c1-11(22)16(23)15-10-13(18(19,20)21)8-9-14(15)17(24-2)12-6-4-3-5-7-12/h8-12,16-17,23H,3-7,22H2,1-2H3/t11?,16?,17-/m0/s1
InChIKeyCRCYQLPOYZKQEH-XCKKERBNSA-N
MW345.41 g/mol
LogP4.35
Rot. Bonds5

About 2-amino-1-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]propan-1-ol

2-amino-1-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 68852821) has the molecular formula C18H26F3NO2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-amino-1-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID68852821
Molecular FormulaC18H26F3NO2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name2-amino-1-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]propan-1-ol
SMILESCO[C@H](c1ccc(C(F)(F)F)cc1C(O)C(C)N)C1CCCCC1
InChIInChI=1S/C18H26F3NO2/c1-11(22)16(23)15-10-13(18(19,20)21)8-9-14(15)17(24-2)12-6-4-3-5-7-12/h8-12,16-17,23H,3-7,22H2,1-2H3/t11?,16?,17-/m0/s1
InChIKeyCRCYQLPOYZKQEH-XCKKERBNSA-N
XLogP4.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)benzaldehyde
CID 58968699
(1R,2S)-2-amino-1-cyclohexyl-2-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol
CID 171271961
(1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol
CID 131356033
2-amino-1-[2-amino-5-(trifluoromethyl)phenyl]propan-1-ol
CID 105494015
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
(1S,2R)-2-amino-1-cyclohexyl-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 171263233
(1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol
CID 171160024
2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride
CID 171258089
[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]cyanamide
CID 86615050
(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
CID 171263151
(1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
CID 171161458

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-amino-1-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]propan-1-ol (CID 68852821) is 2-amino-1-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-1-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-1-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]propan-1-ol is CO[C@H](c1ccc(C(F)(F)F)cc1C(O)C(C)N)C1CCCCC1.
What is the InChIKey of 2-amino-1-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is CRCYQLPOYZKQEH-XCKKERBNSA-N. The full InChI is InChI=1S/C18H26F3NO2/c1-11(22)16(23)15-10-13(18(19,20)21)8-9-14(15)17(24-2)12-6-4-3-5-7-12/h8-12,16-17,23H,3-7,22H2,1-2H3/t11?,16?,17-/m0/s1.
What are the key properties of 2-amino-1-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]propan-1-ol?
2-amino-1-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 345.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 68852821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).