[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol

C17H27NO — CID 79138792

IUPAC[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H27NO/c1-3-14-8-10-17(12-18,11-9-14)16(19)15-6-4-13(2)5-7-15/h4-7,14,16,19H,3,8-12,18H2,1-2H3
InChIKeyQJVDRVNSDBANME-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.57
Rot. Bonds4

About [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol

[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol (PubChem CID 79138792) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol
PubChem CID79138792
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H27NO/c1-3-14-8-10-17(12-18,11-9-14)16(19)15-6-4-13(2)5-7-15/h4-7,14,16,19H,3,8-12,18H2,1-2H3
InChIKeyQJVDRVNSDBANME-UHFFFAOYSA-N
XLogP3.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propanol, 1-p-tolyl-2-amino-, hydrochloride
CID 37043
2-Amino-1-(4-methylphenyl)propan-1-ol
CID 37044
3-Amino-1-phenylpropan-1-ol
CID 121548
Tolperisone metabolite
CID 121335
(2R,3R)-1-amino-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride
CID 45265280
(1R,2R)-3-amino-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 45265302
Bis(4-(tert-butyl)phenyl)methanol
CID 357627
(E)-1-(3-(3-amino-1-hydroxypropyl)-2-fluorostyryl)cyclohexanol
CID 57766428
(E)-1-(3-(3-amino-1-hydroxypropyl)-5-fluorostyryl)cyclohexanol
CID 57766487
Benzenemethanol, alpha-(2-amino-1-methylethyl)-alpha-phenyl-, hydrochloride
CID 26537
Benzhydrol, alpha-(2-amino-1-methylethyl)-4,4'-dimethyl-
CID 203338
1-(4-Methylphenyl)-3-(piperidin-1-yl)propan-1-ol
CID 214250

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol (CID 79138792) is [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol is CCC1CCC(CN)(C(O)c2ccc(C)cc2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol?
The InChIKey is QJVDRVNSDBANME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-14-8-10-17(12-18,11-9-14)16(19)15-6-4-13(2)5-7-15/h4-7,14,16,19H,3,8-12,18H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol?
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol has a molecular weight of 261.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol is sourced from PubChem (CID 79138792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).