[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol

C18H29NO2 — CID 79126025

IUPAC[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol
SMILESCCOc1cccc(C(O)C2(CN)CCC(C)(C)CC2)c1
InChIInChI=1S/C18H29NO2/c1-4-21-15-7-5-6-14(12-15)16(20)18(13-19)10-8-17(2,3)9-11-18/h5-7,12,16,20H,4,8-11,13,19H2,1-3H3
InChIKeyBHQPJWHTJCAAMB-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.66
Rot. Bonds5

About [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol (PubChem CID 79126025) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol
PubChem CID79126025
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol
SMILESCCOc1cccc(C(O)C2(CN)CCC(C)(C)CC2)c1
InChIInChI=1S/C18H29NO2/c1-4-21-15-7-5-6-14(12-15)16(20)18(13-19)10-8-17(2,3)9-11-18/h5-7,12,16,20H,4,8-11,13,19H2,1-3H3
InChIKeyBHQPJWHTJCAAMB-UHFFFAOYSA-N
XLogP3.66
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-ethoxyphenyl)methanol
CID 79126013
[1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol
CID 79123408
(1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol
CID 116753198
(1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol
CID 116754822
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3,5-dimethylphenyl)methanol
CID 79137995
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol
CID 79134995
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
(2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol
CID 107005428
chloro-(3-ethoxyphenyl)methanol
CID 141156919
2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol
CID 79415352
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-thiophen-3-ylmethanol
CID 79135088

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol (CID 79126025) is [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol is CCOc1cccc(C(O)C2(CN)CCC(C)(C)CC2)c1.
What is the InChIKey of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol?
The InChIKey is BHQPJWHTJCAAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-21-15-7-5-6-14(12-15)16(20)18(13-19)10-8-17(2,3)9-11-18/h5-7,12,16,20H,4,8-11,13,19H2,1-3H3.
What are the key properties of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol?
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol has a molecular weight of 291.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol is sourced from PubChem (CID 79126025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).