1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol

C19H31NO — CID 79125512

IUPAC1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol
SMILESCCCC(O)(c1ccccc1)C1(CN)CCC(C)(C)CC1
InChIInChI=1S/C19H31NO/c1-4-10-19(21,16-8-6-5-7-9-16)18(15-20)13-11-17(2,3)12-14-18/h5-9,21H,4,10-15,20H2,1-3H3
InChIKeyWXVTVPQWSGFUPU-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.22
Rot. Bonds5

About 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol

1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol (PubChem CID 79125512) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol
PubChem CID79125512
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol
SMILESCCCC(O)(c1ccccc1)C1(CN)CCC(C)(C)CC1
InChIInChI=1S/C19H31NO/c1-4-10-19(21,16-8-6-5-7-9-16)18(15-20)13-11-17(2,3)12-14-18/h5-9,21H,4,10-15,20H2,1-3H3
InChIKeyWXVTVPQWSGFUPU-UHFFFAOYSA-N
XLogP4.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclopentyl]-1-phenylbutan-1-ol
CID 79135376
1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol
CID 79135925
1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol
CID 79134639
1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol
CID 79135824
1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile
CID 79129358
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-(4-methoxyphenyl)ethanol
CID 79125167
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol
CID 79127155
1-(2-chloroethylamino)-1-phenylbutan-1-ol
CID 70168684
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol
CID 79123735
1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3-fluorophenyl)ethanol
CID 79128010
1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-phenylpropan-1-ol
CID 79135110

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol (CID 79125512) is 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol is CCCC(O)(c1ccccc1)C1(CN)CCC(C)(C)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol?
The InChIKey is WXVTVPQWSGFUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-10-19(21,16-8-6-5-7-9-16)18(15-20)13-11-17(2,3)12-14-18/h5-9,21H,4,10-15,20H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol?
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol is sourced from PubChem (CID 79125512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).