[3-[cyclohexyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol

C22H29NO — CID 131851993

IUPAC[3-[cyclohexyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol
SMILESC[C@@H](NC(c1cccc(CO)c1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C22H29NO/c1-17(19-10-4-2-5-11-19)23-22(20-12-6-3-7-13-20)21-14-8-9-18(15-21)16-24/h2,4-5,8-11,14-15,17,20,22-24H,3,6-7,12-13,16H2,1H3/t17-,22?/m1/s1
InChIKeyWVTGEPXJJIFNJO-PLEWWHCXSA-N
MW323.48 g/mol
LogP5.15
Rot. Bonds6

About [3-[cyclohexyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol

[3-[cyclohexyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol (PubChem CID 131851993) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is [3-[cyclohexyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[cyclohexyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol
PubChem CID131851993
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name[3-[cyclohexyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol
SMILESC[C@@H](NC(c1cccc(CO)c1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C22H29NO/c1-17(19-10-4-2-5-11-19)23-22(20-12-6-3-7-13-20)21-14-8-9-18(15-21)16-24/h2,4-5,8-11,14-15,17,20,22-24H,3,6-7,12-13,16H2,1H3/t17-,22?/m1/s1
InChIKeyWVTGEPXJJIFNJO-PLEWWHCXSA-N
XLogP5.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol
CID 131851990
(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81366288
N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43724281
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
CID 116544896
N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
CID 116544538
N-[cyclohexyl(phenyl)methyl]pentan-2-amine
CID 43103715
(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406216
2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 67102510
(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81381917
[cyclopentyl-(3-propylphenyl)methyl]hydrazine
CID 105204459
N-(1-phenylethyl)cyclododecanamine
CID 60662638

Frequently Asked Questions

What is the IUPAC name of [3-[cyclohexyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol?
The IUPAC name of [3-[cyclohexyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol (CID 131851993) is [3-[cyclohexyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[cyclohexyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[cyclohexyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol is C[C@@H](NC(c1cccc(CO)c1)C1CCCCC1)c1ccccc1.
What is the InChIKey of [3-[cyclohexyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol?
The InChIKey is WVTGEPXJJIFNJO-PLEWWHCXSA-N. The full InChI is InChI=1S/C22H29NO/c1-17(19-10-4-2-5-11-19)23-22(20-12-6-3-7-13-20)21-14-8-9-18(15-21)16-24/h2,4-5,8-11,14-15,17,20,22-24H,3,6-7,12-13,16H2,1H3/t17-,22?/m1/s1.
What are the key properties of [3-[cyclohexyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol?
[3-[cyclohexyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol has a molecular weight of 323.48 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[cyclohexyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 131851993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).