1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol

C18H29NO — CID 79135925

IUPAC1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol
SMILESCCCC(O)(c1ccccc1)C1(CN)CCC(C)CC1
InChIInChI=1S/C18H29NO/c1-3-11-18(20,16-7-5-4-6-8-16)17(14-19)12-9-15(2)10-13-17/h4-8,15,20H,3,9-14,19H2,1-2H3
InChIKeyRVIACEUTIYLFTM-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.83
Rot. Bonds5

About 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol

1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol (PubChem CID 79135925) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol
PubChem CID79135925
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol
SMILESCCCC(O)(c1ccccc1)C1(CN)CCC(C)CC1
InChIInChI=1S/C18H29NO/c1-3-11-18(20,16-7-5-4-6-8-16)17(14-19)12-9-15(2)10-13-17/h4-8,15,20H,3,9-14,19H2,1-2H3
InChIKeyRVIACEUTIYLFTM-UHFFFAOYSA-N
XLogP3.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol (CID 79135925) is 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol is CCCC(O)(c1ccccc1)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol?
The InChIKey is RVIACEUTIYLFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-11-18(20,16-7-5-4-6-8-16)17(14-19)12-9-15(2)10-13-17/h4-8,15,20H,3,9-14,19H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol?
1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol is sourced from PubChem (CID 79135925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).