[1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol

C17H25NO — CID 81343311

IUPAC[1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol
SMILESOCC1(CNC2CCCCC2c2ccccc2)CC1
InChIInChI=1S/C17H25NO/c19-13-17(10-11-17)12-18-16-9-5-4-8-15(16)14-6-2-1-3-7-14/h1-3,6-7,15-16,18-19H,4-5,8-13H2
InChIKeyIDMBXRCEEPZDDC-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.07
Rot. Bonds5

About [1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol

[1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol (PubChem CID 81343311) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol
PubChem CID81343311
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol
SMILESOCC1(CNC2CCCCC2c2ccccc2)CC1
InChIInChI=1S/C17H25NO/c19-13-17(10-11-17)12-18-16-9-5-4-8-15(16)14-6-2-1-3-7-14/h1-3,6-7,15-16,18-19H,4-5,8-13H2
InChIKeyIDMBXRCEEPZDDC-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65107027
N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
CID 63821128
3-[[(2-phenylcyclohexyl)amino]methyl]oxolan-3-ol
CID 103904822
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635
4-[(2-phenylcyclopentyl)amino]butan-1-ol
CID 166226352
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
2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol
CID 106252164
N'-(2-phenylcyclohexyl)propane-1,3-diamine
CID 60895197
3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105347

Frequently Asked Questions

What is the IUPAC name of [1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol (CID 81343311) is [1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol is OCC1(CNC2CCCCC2c2ccccc2)CC1.
What is the InChIKey of [1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol?
The InChIKey is IDMBXRCEEPZDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c19-13-17(10-11-17)12-18-16-9-5-4-8-15(16)14-6-2-1-3-7-14/h1-3,6-7,15-16,18-19H,4-5,8-13H2.
What are the key properties of [1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol?
[1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol has a molecular weight of 259.39 g/mol, XLogP of 3.07, 5 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]cyclopropyl]methanol is sourced from PubChem (CID 81343311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).