1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine

C16H26N2O — CID 116906723

IUPAC1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine
SMILESCOc1ccc(C(CC2CCNC2)N(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-12-9-14(5-6-16(12)19-4)15(18(2)3)10-13-7-8-17-11-13/h5-6,9,13,15,17H,7-8,10-11H2,1-4H3
InChIKeyUMJZFGJWWXJUNW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.61
Rot. Bonds5

About 1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine

1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine (PubChem CID 116906723) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine
PubChem CID116906723
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine
SMILESCOc1ccc(C(CC2CCNC2)N(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-12-9-14(5-6-16(12)19-4)15(18(2)3)10-13-7-8-17-11-13/h5-6,9,13,15,17H,7-8,10-11H2,1-4H3
InChIKeyUMJZFGJWWXJUNW-UHFFFAOYSA-N
XLogP2.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-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

N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116906713
1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906835
3-[(4-methoxy-3-methylphenyl)sulfanylmethyl]pyrrolidine
CID 117033074
2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 116857211
3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine
CID 116840190
1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951010
1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906832
1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine
CID 116905729
1-(4-methoxy-3-methylphenyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 116951339
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906846
2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208694
N,N-dimethyl-1-phenyl-2-piperidin-4-ylethanamine
CID 116906872

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine (CID 116906723) is 1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine is COc1ccc(C(CC2CCNC2)N(C)C)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine?
The InChIKey is UMJZFGJWWXJUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-14(5-6-16(12)19-4)15(18(2)3)10-13-7-8-17-11-13/h5-6,9,13,15,17H,7-8,10-11H2,1-4H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine?
1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 116906723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).