1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol

C17H27NO — CID 79128362

IUPAC1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(C)(O)C1(CN)CCC(C)CC1
InChIInChI=1S/C17H27NO/c1-13-8-10-17(12-18,11-9-13)16(3,19)15-7-5-4-6-14(15)2/h4-7,13,19H,8-12,18H2,1-3H3
InChIKeyBGBNBDHGYWCXIO-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.36
Rot. Bonds3

About 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol

1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol (PubChem CID 79128362) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol
PubChem CID79128362
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(C)(O)C1(CN)CCC(C)CC1
InChIInChI=1S/C17H27NO/c1-13-8-10-17(12-18,11-9-13)16(3,19)15-7-5-4-6-14(15)2/h4-7,13,19H,8-12,18H2,1-3H3
InChIKeyBGBNBDHGYWCXIO-UHFFFAOYSA-N
XLogP3.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Tridihexethyl
CID 20299
Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-
CID 4945
alpha-Cyclohexyl-alpha-(2-(diethylamino)ethyl)benzenemethanol
CID 114547
alpha-(2-(Dimethylamino)ethyl)-alpha-phenylbenzenemethanol
CID 199511
(R)-(+)-2-Amino-3-methyl-1,1-diphenyl-1-butanol
CID 702733
1-Amino-2-phenylpropan-2-ol
CID 12362998
(alphaS)-alpha-((1R)-2-(Dimethylamino)-1-methylethyl)-alpha-phenylbenzeneethanol
CID 688064
3-(Dimethylamino)-2-methyl-1,1-diphenylpropan-1-ol
CID 110988
Benzhydrol, alpha-(aminomethyl)-, hydrochloride
CID 201827
(2R,3S)-(-)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanol
CID 688065
Cyclohexanol, 2-((dimethylamino)methyl)-1-phenyl-
CID 3047065
1-(Aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12914859

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol?
The IUPAC name of 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol (CID 79128362) is 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol?
The canonical SMILES for 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol is Cc1ccccc1C(C)(O)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol?
The InChIKey is BGBNBDHGYWCXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-8-10-17(12-18,11-9-13)16(3,19)15-7-5-4-6-14(15)2/h4-7,13,19H,8-12,18H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol?
1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 79128362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).