2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine

C16H26N2 — CID 54977741

IUPAC2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
SMILESCc1ccc(C)c(C(CN)N2CCCCC2C)c1
InChIInChI=1S/C16H26N2/c1-12-7-8-13(2)15(10-12)16(11-17)18-9-5-4-6-14(18)3/h7-8,10,14,16H,4-6,9,11,17H2,1-3H3
InChIKeyYGVGFXPKFMSUDQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.18
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine

2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine (PubChem CID 54977741) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
PubChem CID54977741
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
SMILESCc1ccc(C)c(C(CN)N2CCCCC2C)c1
InChIInChI=1S/C16H26N2/c1-12-7-8-13(2)15(10-12)16(11-17)18-9-5-4-6-14(18)3/h7-8,10,14,16H,4-6,9,11,17H2,1-3H3
InChIKeyYGVGFXPKFMSUDQ-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine 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

2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 114053992
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(2,5-dimethylphenyl)ethanamine
CID 102725788
2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54978141
2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 63667059
2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43180363
2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine
CID 82040647
[1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115311550
2-(2,6-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 16786148
2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62199615
2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine
CID 54977844
4-methyl-2-[1-(2-methylazepan-1-yl)ethyl]phenol
CID 82981091
2-isoquinolin-4-yl-2-(2-methylpiperidin-1-yl)ethanamine
CID 104504036

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine (CID 54977741) is 2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine is Cc1ccc(C)c(C(CN)N2CCCCC2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine?
The InChIKey is YGVGFXPKFMSUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-7-8-13(2)15(10-12)16(11-17)18-9-5-4-6-14(18)3/h7-8,10,14,16H,4-6,9,11,17H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine?
2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 54977741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).