[1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol

C19H31NO — CID 79123405

IUPAC[1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H31NO/c1-4-15-9-11-19(13-20,12-10-15)18(21)17-7-5-16(6-8-17)14(2)3/h5-8,14-15,18,21H,4,9-13,20H2,1-3H3
InChIKeyMYLUVKHLSOUTQZ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.39
Rot. Bonds5

About [1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol

[1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol (PubChem CID 79123405) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is [1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol
PubChem CID79123405
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name[1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H31NO/c1-4-15-9-11-19(13-20,12-10-15)18(21)17-7-5-16(6-8-17)14(2)3/h5-8,14-15,18,21H,4,9-13,20H2,1-3H3
InChIKeyMYLUVKHLSOUTQZ-UHFFFAOYSA-N
XLogP4.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 45262334
(1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 45262414
(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
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CID 2797796

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol (CID 79123405) is [1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol is CCC1CCC(CN)(C(O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol?
The InChIKey is MYLUVKHLSOUTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-15-9-11-19(13-20,12-10-15)18(21)17-7-5-16(6-8-17)14(2)3/h5-8,14-15,18,21H,4,9-13,20H2,1-3H3.
What are the key properties of [1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol?
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol has a molecular weight of 289.46 g/mol, XLogP of 4.39, 5 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-propan-2-ylphenyl)methanol is sourced from PubChem (CID 79123405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).