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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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).