1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine

C16H26N2O — CID 82303036

IUPAC1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine
SMILESCOc1ccc(C(N)CN2CCCCC2)c(C)c1C
InChIInChI=1S/C16H26N2O/c1-12-13(2)16(19-3)8-7-14(12)15(17)11-18-9-5-4-6-10-18/h7-8,15H,4-6,9-11,17H2,1-3H3
InChIKeyKMDGOSPOPJUKPZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.80
Rot. Bonds4

About 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine

1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine (PubChem CID 82303036) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine
PubChem CID82303036
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine
SMILESCOc1ccc(C(N)CN2CCCCC2)c(C)c1C
InChIInChI=1S/C16H26N2O/c1-12-13(2)16(19-3)8-7-14(12)15(17)11-18-9-5-4-6-10-18/h7-8,15H,4-6,9-11,17H2,1-3H3
InChIKeyKMDGOSPOPJUKPZ-UHFFFAOYSA-N
XLogP2.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine 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-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 82295585
1-(4-methoxy-2,3-dimethylphenyl)-2-methylsulfanylethanamine
CID 116830301
N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116934913
N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116935200
2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 16787615
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643538
1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495074
1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936485
2-[1-amino-2-(azepan-1-yl)ethyl]phenol
CID 117243601
1-(2,5-dimethoxyphenyl)-2-morpholin-4-ylethanamine
CID 16780959
1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine
CID 82215428
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749122

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine?
The IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine (CID 82303036) is 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine?
The canonical SMILES for 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine is COc1ccc(C(N)CN2CCCCC2)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine?
The InChIKey is KMDGOSPOPJUKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-13(2)16(19-3)8-7-14(12)15(17)11-18-9-5-4-6-10-18/h7-8,15H,4-6,9-11,17H2,1-3H3.
What are the key properties of 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine?
1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 82303036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).