1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol

C19H29NO — CID 65107027

IUPAC1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNC2CCCCC2c2ccccc2)CCCCC1
InChIInChI=1S/C19H29NO/c21-19(13-7-2-8-14-19)15-20-18-12-6-5-11-17(18)16-9-3-1-4-10-16/h1,3-4,9-10,17-18,20-21H,2,5-8,11-15H2
InChIKeyJJTLIXURBHDLCX-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.00
Rot. Bonds4

About 1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol

1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol (PubChem CID 65107027) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol
PubChem CID65107027
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNC2CCCCC2c2ccccc2)CCCCC1
InChIInChI=1S/C19H29NO/c21-19(13-7-2-8-14-19)15-20-18-12-6-5-11-17(18)16-9-3-1-4-10-16/h1,3-4,9-10,17-18,20-21H,2,5-8,11-15H2
InChIKeyJJTLIXURBHDLCX-UHFFFAOYSA-N
XLogP4.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-phenylcyclohexyl)amino]methyl]oxolan-3-ol
CID 103904822
[1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol
CID 81343311
N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
CID 63821128
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635
2-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 65108881
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
3-[(2-phenylcyclohexyl)amino]propanoic acid
CID 43774837
N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine
CID 104705865
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
N'-(2-phenylcyclohexyl)propane-1,3-diamine
CID 60895197
3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105347
1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol
CID 95377558

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol (CID 65107027) is 1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol is OC1(CNC2CCCCC2c2ccccc2)CCCCC1.
What is the InChIKey of 1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is JJTLIXURBHDLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c21-19(13-7-2-8-14-19)15-20-18-12-6-5-11-17(18)16-9-3-1-4-10-16/h1,3-4,9-10,17-18,20-21H,2,5-8,11-15H2.
What are the key properties of 1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol?
1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 287.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65107027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).