[4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol

C25H29NO — CID 42624182

IUPAC[4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol
SMILESC[C@@H](NC1CCC[C@H](c2ccc(CO)cc2)C1)c1cccc2ccccc12
InChIInChI=1S/C25H29NO/c1-18(24-11-5-7-21-6-2-3-10-25(21)24)26-23-9-4-8-22(16-23)20-14-12-19(17-27)13-15-20/h2-3,5-7,10-15,18,22-23,26-27H,4,8-9,16-17H2,1H3/t18-,22+,23?/m1/s1
InChIKeyNOEZFZADPQCFEZ-QLJVCMTQSA-N
MW359.51 g/mol
LogP5.71
Rot. Bonds5

About [4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol

[4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol (PubChem CID 42624182) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is [4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol
PubChem CID42624182
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name[4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol
SMILESC[C@@H](NC1CCC[C@H](c2ccc(CO)cc2)C1)c1cccc2ccccc12
InChIInChI=1S/C25H29NO/c1-18(24-11-5-7-21-6-2-3-10-25(21)24)26-23-9-4-8-22(16-23)20-14-12-19(17-27)13-15-20/h2-3,5-7,10-15,18,22-23,26-27H,4,8-9,16-17H2,1H3/t18-,22+,23?/m1/s1
InChIKeyNOEZFZADPQCFEZ-QLJVCMTQSA-N
XLogP5.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol with MolForge

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Related Compounds

2-[4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]acetic acid
CID 59617292
3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine
CID 68779176
N-hydroxy-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
CID 42624000
N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
CID 141396256
N-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide
CID 59617302
4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-N-(2-sulfanylethyl)benzamide
CID 42623590
N-[(2-methylpropan-2-yl)oxy]-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
CID 59617218
3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid
CID 68783057
4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
CID 68781148
4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]benzoic acid
CID 59617339
(3S)-3-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine
CID 143807888
N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine
CID 158787446

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol?
The IUPAC name of [4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol (CID 42624182) is [4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol.
What is the SMILES notation for [4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol?
The canonical SMILES for [4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol is C[C@@H](NC1CCC[C@H](c2ccc(CO)cc2)C1)c1cccc2ccccc12.
What is the InChIKey of [4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol?
The InChIKey is NOEZFZADPQCFEZ-QLJVCMTQSA-N. The full InChI is InChI=1S/C25H29NO/c1-18(24-11-5-7-21-6-2-3-10-25(21)24)26-23-9-4-8-22(16-23)20-14-12-19(17-27)13-15-20/h2-3,5-7,10-15,18,22-23,26-27H,4,8-9,16-17H2,1H3/t18-,22+,23?/m1/s1.
What are the key properties of [4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol?
[4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol has a molecular weight of 359.51 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol is sourced from PubChem (CID 42624182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).