2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol

C19H31NO — CID 64929462

IUPAC2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol
SMILESCCCCCC(NCC1CCCCC1O)c1ccccc1
InChIInChI=1S/C19H31NO/c1-2-3-5-13-18(16-10-6-4-7-11-16)20-15-17-12-8-9-14-19(17)21/h4,6-7,10-11,17-21H,2-3,5,8-9,12-15H2,1H3
InChIKeyKDIOMNYDDHYOTJ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.45
Rot. Bonds8

About 2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol

2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol (PubChem CID 64929462) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol
PubChem CID64929462
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol
SMILESCCCCCC(NCC1CCCCC1O)c1ccccc1
InChIInChI=1S/C19H31NO/c1-2-3-5-13-18(16-10-6-4-7-11-16)20-15-17-12-8-9-14-19(17)21/h4,6-7,10-11,17-21H,2-3,5,8-9,12-15H2,1H3
InChIKeyKDIOMNYDDHYOTJ-UHFFFAOYSA-N
XLogP4.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine
CID 63455775
1-phenyl-N-(thiolan-2-ylmethyl)hexan-1-amine
CID 80584364
N-(2-cyclohexylethyl)-1-phenylhexan-1-amine
CID 63450485
3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol
CID 66007275
4-(1-phenylhexylamino)butan-2-ol
CID 64910713
1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine
CID 80584230
N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine
CID 115712894
1-phenylhexylthiourea
CID 122437154
N-(1-phenylpentyl)cycloheptanamine
CID 43767069
2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol
CID 64929998
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol (CID 64929462) is 2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol is CCCCCC(NCC1CCCCC1O)c1ccccc1.
What is the InChIKey of 2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol?
The InChIKey is KDIOMNYDDHYOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-2-3-5-13-18(16-10-6-4-7-11-16)20-15-17-12-8-9-14-19(17)21/h4,6-7,10-11,17-21H,2-3,5,8-9,12-15H2,1H3.
What are the key properties of 2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol?
2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64929462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).