[1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol

C18H29NO — CID 79138258

IUPAC[1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2cccc(C)c2C)CC1
InChIInChI=1S/C18H29NO/c1-4-15-8-10-18(12-19,11-9-15)17(20)16-7-5-6-13(2)14(16)3/h5-7,15,17,20H,4,8-12,19H2,1-3H3
InChIKeyKOTNBISUJGNZGC-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.88
Rot. Bonds4

About [1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol

[1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol (PubChem CID 79138258) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol
PubChem CID79138258
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2cccc(C)c2C)CC1
InChIInChI=1S/C18H29NO/c1-4-15-8-10-18(12-19,11-9-15)17(20)16-7-5-6-13(2)14(16)3/h5-7,15,17,20H,4,8-12,19H2,1-3H3
InChIKeyKOTNBISUJGNZGC-UHFFFAOYSA-N
XLogP3.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.88
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]-(2,3-dimethylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol (CID 79138258) is [1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol is CCC1CCC(CN)(C(O)c2cccc(C)c2C)CC1.
What is the InChIKey of [1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol?
The InChIKey is KOTNBISUJGNZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-15-8-10-18(12-19,11-9-15)17(20)16-7-5-6-13(2)14(16)3/h5-7,15,17,20H,4,8-12,19H2,1-3H3.
What are the key properties of [1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol?
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol has a molecular weight of 275.44 g/mol, XLogP of 3.88, 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]-(2,3-dimethylphenyl)methanol is sourced from PubChem (CID 79138258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).