1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine

C18H30N2O — CID 62124586

IUPAC1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine
SMILESCCC(N)C(c1ccccc1OC)N1CCCC(C)C1C
InChIInChI=1S/C18H30N2O/c1-5-16(19)18(15-10-6-7-11-17(15)21-4)20-12-8-9-13(2)14(20)3/h6-7,10-11,13-14,16,18H,5,8-9,12,19H2,1-4H3
InChIKeyGLGSBIBRXMCPCT-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.59
Rot. Bonds5

About 1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine

1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine (PubChem CID 62124586) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine
PubChem CID62124586
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine
SMILESCCC(N)C(c1ccccc1OC)N1CCCC(C)C1C
InChIInChI=1S/C18H30N2O/c1-5-16(19)18(15-10-6-7-11-17(15)21-4)20-12-8-9-13(2)14(20)3/h6-7,10-11,13-14,16,18H,5,8-9,12,19H2,1-4H3
InChIKeyGLGSBIBRXMCPCT-UHFFFAOYSA-N
XLogP3.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine
CID 62124060
1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine
CID 83218854
2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62124787
1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine
CID 55019169
2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine
CID 62122834
1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
CID 55022025
1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
CID 103505314
1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine
CID 104688989
[1-[2-amino-1-(2-methylphenyl)butyl]azepan-2-yl]methanol
CID 116634160
2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 62132977
1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine
CID 102956236
1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine
CID 102956189

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine?
The IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine (CID 62124586) is 1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine is CCC(N)C(c1ccccc1OC)N1CCCC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine?
The InChIKey is GLGSBIBRXMCPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-16(19)18(15-10-6-7-11-17(15)21-4)20-12-8-9-13(2)14(20)3/h6-7,10-11,13-14,16,18H,5,8-9,12,19H2,1-4H3.
What are the key properties of 1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine?
1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 62124586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).