[1-(aminomethyl)-4-ethylcyclohexyl]-(2-cyclopropylphenyl)methanol

C19H29NO — CID 79971232

IUPAC[1-(aminomethyl)-4-ethylcyclohexyl]-(2-cyclopropylphenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccccc2C2CC2)CC1
InChIInChI=1S/C19H29NO/c1-2-14-9-11-19(13-20,12-10-14)18(21)17-6-4-3-5-16(17)15-7-8-15/h3-6,14-15,18,21H,2,7-13,20H2,1H3
InChIKeyIHWUJZPJAWFHTL-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.14
Rot. Bonds5

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

[1-(aminomethyl)-4-ethylcyclohexyl]-(2-cyclopropylphenyl)methanol (PubChem CID 79971232) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is [1-(aminomethyl)-4-ethylcyclohexyl]-(2-cyclopropylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-ethylcyclohexyl]-(2-cyclopropylphenyl)methanol
PubChem CID79971232
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name[1-(aminomethyl)-4-ethylcyclohexyl]-(2-cyclopropylphenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccccc2C2CC2)CC1
InChIInChI=1S/C19H29NO/c1-2-14-9-11-19(13-20,12-10-14)18(21)17-6-4-3-5-16(17)15-7-8-15/h3-6,14-15,18,21H,2,7-13,20H2,1H3
InChIKeyIHWUJZPJAWFHTL-UHFFFAOYSA-N
XLogP4.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(2-cyclopropylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(2-cyclopropylphenyl)methanol (CID 79971232) is [1-(aminomethyl)-4-ethylcyclohexyl]-(2-cyclopropylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-ethylcyclohexyl]-(2-cyclopropylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-ethylcyclohexyl]-(2-cyclopropylphenyl)methanol is CCC1CCC(CN)(C(O)c2ccccc2C2CC2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-ethylcyclohexyl]-(2-cyclopropylphenyl)methanol?
The InChIKey is IHWUJZPJAWFHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-14-9-11-19(13-20,12-10-14)18(21)17-6-4-3-5-16(17)15-7-8-15/h3-6,14-15,18,21H,2,7-13,20H2,1H3.
What are the key properties of [1-(aminomethyl)-4-ethylcyclohexyl]-(2-cyclopropylphenyl)methanol?
[1-(aminomethyl)-4-ethylcyclohexyl]-(2-cyclopropylphenyl)methanol has a molecular weight of 287.45 g/mol, XLogP of 4.14, 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]-(2-cyclopropylphenyl)methanol is sourced from PubChem (CID 79971232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).