1-[[2-(aminomethyl)-5-phenylcyclohexyl]-methylamino]propan-2-ol

C17H28N2O — CID 62334960

IUPAC1-[[2-(aminomethyl)-5-phenylcyclohexyl]-methylamino]propan-2-ol
SMILESCC(O)CN(C)C1CC(c2ccccc2)CCC1CN
InChIInChI=1S/C17H28N2O/c1-13(20)12-19(2)17-10-15(8-9-16(17)11-18)14-6-4-3-5-7-14/h3-7,13,15-17,20H,8-12,18H2,1-2H3
InChIKeyICKKUIYUEHCYTE-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.21
Rot. Bonds5

About 1-[[2-(aminomethyl)-5-phenylcyclohexyl]-methylamino]propan-2-ol

1-[[2-(aminomethyl)-5-phenylcyclohexyl]-methylamino]propan-2-ol (PubChem CID 62334960) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-5-phenylcyclohexyl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-5-phenylcyclohexyl]-methylamino]propan-2-ol
PubChem CID62334960
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[[2-(aminomethyl)-5-phenylcyclohexyl]-methylamino]propan-2-ol
SMILESCC(O)CN(C)C1CC(c2ccccc2)CCC1CN
InChIInChI=1S/C17H28N2O/c1-13(20)12-19(2)17-10-15(8-9-16(17)11-18)14-6-4-3-5-7-14/h3-7,13,15-17,20H,8-12,18H2,1-2H3
InChIKeyICKKUIYUEHCYTE-UHFFFAOYSA-N
XLogP2.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.21
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]-methylamino]propan-2-ol?
The IUPAC name of 1-[[2-(aminomethyl)-5-phenylcyclohexyl]-methylamino]propan-2-ol (CID 62334960) is 1-[[2-(aminomethyl)-5-phenylcyclohexyl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)-5-phenylcyclohexyl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[2-(aminomethyl)-5-phenylcyclohexyl]-methylamino]propan-2-ol is CC(O)CN(C)C1CC(c2ccccc2)CCC1CN.
What is the InChIKey of 1-[[2-(aminomethyl)-5-phenylcyclohexyl]-methylamino]propan-2-ol?
The InChIKey is ICKKUIYUEHCYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(20)12-19(2)17-10-15(8-9-16(17)11-18)14-6-4-3-5-7-14/h3-7,13,15-17,20H,8-12,18H2,1-2H3.
What are the key properties of 1-[[2-(aminomethyl)-5-phenylcyclohexyl]-methylamino]propan-2-ol?
1-[[2-(aminomethyl)-5-phenylcyclohexyl]-methylamino]propan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.21, 5 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]-methylamino]propan-2-ol is sourced from PubChem (CID 62334960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).