1-[2-(aminomethyl)-5-phenylcyclohexyl]-3-methylpyrrolidin-3-ol

C18H28N2O — CID 103355613

IUPAC1-[2-(aminomethyl)-5-phenylcyclohexyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(C2CC(c3ccccc3)CCC2CN)C1
InChIInChI=1S/C18H28N2O/c1-18(21)9-10-20(13-18)17-11-15(7-8-16(17)12-19)14-5-3-2-4-6-14/h2-6,15-17,21H,7-13,19H2,1H3
InChIKeyOXNWNLBZKZYNOC-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.35
Rot. Bonds3

About 1-[2-(aminomethyl)-5-phenylcyclohexyl]-3-methylpyrrolidin-3-ol

1-[2-(aminomethyl)-5-phenylcyclohexyl]-3-methylpyrrolidin-3-ol (PubChem CID 103355613) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-5-phenylcyclohexyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-5-phenylcyclohexyl]-3-methylpyrrolidin-3-ol
PubChem CID103355613
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-[2-(aminomethyl)-5-phenylcyclohexyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(C2CC(c3ccccc3)CCC2CN)C1
InChIInChI=1S/C18H28N2O/c1-18(21)9-10-20(13-18)17-11-15(7-8-16(17)12-19)14-5-3-2-4-6-14/h2-6,15-17,21H,7-13,19H2,1H3
InChIKeyOXNWNLBZKZYNOC-UHFFFAOYSA-N
XLogP2.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-5-phenylcyclohexyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[2-(aminomethyl)-5-phenylcyclohexyl]-3-methylpyrrolidin-3-ol (CID 103355613) is 1-[2-(aminomethyl)-5-phenylcyclohexyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-5-phenylcyclohexyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[2-(aminomethyl)-5-phenylcyclohexyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(C2CC(c3ccccc3)CCC2CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-5-phenylcyclohexyl]-3-methylpyrrolidin-3-ol?
The InChIKey is OXNWNLBZKZYNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(21)9-10-20(13-18)17-11-15(7-8-16(17)12-19)14-5-3-2-4-6-14/h2-6,15-17,21H,7-13,19H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-5-phenylcyclohexyl]-3-methylpyrrolidin-3-ol?
1-[2-(aminomethyl)-5-phenylcyclohexyl]-3-methylpyrrolidin-3-ol has a molecular weight of 288.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-5-phenylcyclohexyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103355613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).