[2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol

C17H25NO — CID 106359819

IUPAC[2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol
SMILESOCC1CCCCC1NC(c1ccccc1)C1CC1
InChIInChI=1S/C17H25NO/c19-12-15-8-4-5-9-16(15)18-17(14-10-11-14)13-6-2-1-3-7-13/h1-3,6-7,14-19H,4-5,8-12H2
InChIKeyNAVHQGNNXIRGCU-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.28
Rot. Bonds5

About [2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol

[2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol (PubChem CID 106359819) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol
PubChem CID106359819
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol
SMILESOCC1CCCCC1NC(c1ccccc1)C1CC1
InChIInChI=1S/C17H25NO/c19-12-15-8-4-5-9-16(15)18-17(14-10-11-14)13-6-2-1-3-7-13/h1-3,6-7,14-19H,4-5,8-12H2
InChIKeyNAVHQGNNXIRGCU-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid
CID 114178847
[2-(1-phenylpropylamino)cyclohexyl]methanol
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N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776484
[2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol
CID 106359972
ethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate
CID 57012477
2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol
CID 113383805
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-phenylacetamide
CID 103951115
[2-(dicyclopropylmethylamino)cyclopentyl]methanol
CID 115723754
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
[2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol
CID 113261895
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
[2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol
CID 103729783

Frequently Asked Questions

What is the IUPAC name of [2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol?
The IUPAC name of [2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol (CID 106359819) is [2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol?
The canonical SMILES for [2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol is OCC1CCCCC1NC(c1ccccc1)C1CC1.
What is the InChIKey of [2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol?
The InChIKey is NAVHQGNNXIRGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c19-12-15-8-4-5-9-16(15)18-17(14-10-11-14)13-6-2-1-3-7-13/h1-3,6-7,14-19H,4-5,8-12H2.
What are the key properties of [2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol?
[2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol has a molecular weight of 259.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 106359819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).