[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-ethoxyphenyl)methanol

C18H29NO2 — CID 79126013

IUPAC[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-ethoxyphenyl)methanol
SMILESCCOc1ccccc1C(O)C1(CN)CCC(C)(C)CC1
InChIInChI=1S/C18H29NO2/c1-4-21-15-8-6-5-7-14(15)16(20)18(13-19)11-9-17(2,3)10-12-18/h5-8,16,20H,4,9-13,19H2,1-3H3
InChIKeyKAHXBQVNSDDPPA-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.66
Rot. Bonds5

About [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-ethoxyphenyl)methanol

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-ethoxyphenyl)methanol (PubChem CID 79126013) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-ethoxyphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-ethoxyphenyl)methanol
PubChem CID79126013
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-ethoxyphenyl)methanol
SMILESCCOc1ccccc1C(O)C1(CN)CCC(C)(C)CC1
InChIInChI=1S/C18H29NO2/c1-4-21-15-8-6-5-7-14(15)16(20)18(13-19)11-9-17(2,3)10-12-18/h5-8,16,20H,4,9-13,19H2,1-3H3
InChIKeyKAHXBQVNSDDPPA-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]-(3-ethoxyphenyl)methanol
CID 79126025
[1-(dimethylamino)cyclopentyl]-(2-ethoxyphenyl)methanol
CID 79067542
(2-ethoxyphenyl)-(1-phenylcyclopropyl)methanol
CID 63079301
[1-(aminomethyl)-3-methylcyclopentyl]-[2-(difluoromethoxy)phenyl]methanol
CID 79134784
[4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol
CID 79135068
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345
2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol
CID 105460570
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol
CID 79134995
(2,2-dimethylcyclohexyl)-(2-ethoxyphenyl)methanol
CID 107192228
[1-(aminomethyl)-4-ethylcyclohexyl]-(2-cyclopropylphenyl)methanol
CID 79971232
[1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol
CID 79123387
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-chloro-4-methoxyphenyl)methanol
CID 79123439

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-ethoxyphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-ethoxyphenyl)methanol (CID 79126013) is [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-ethoxyphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-ethoxyphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-ethoxyphenyl)methanol is CCOc1ccccc1C(O)C1(CN)CCC(C)(C)CC1.
What is the InChIKey of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-ethoxyphenyl)methanol?
The InChIKey is KAHXBQVNSDDPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-21-15-8-6-5-7-14(15)16(20)18(13-19)11-9-17(2,3)10-12-18/h5-8,16,20H,4,9-13,19H2,1-3H3.
What are the key properties of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-ethoxyphenyl)methanol?
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(2-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]-(2-ethoxyphenyl)methanol is sourced from PubChem (CID 79126013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).