5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

C13H19ClN2O — CID 83950941

IUPAC5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCOc1ccc(Cl)cc1NCC1CCCN1C
InChIInChI=1S/C13H19ClN2O/c1-16-7-3-4-11(16)9-15-12-8-10(14)5-6-13(12)17-2/h5-6,8,11,15H,3-4,7,9H2,1-2H3
InChIKeyRYKCZMGLOVLFBC-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.85
Rot. Bonds4

About 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (PubChem CID 83950941) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
PubChem CID83950941
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCOc1ccc(Cl)cc1NCC1CCCN1C
InChIInChI=1S/C13H19ClN2O/c1-16-7-3-4-11(16)9-15-12-8-10(14)5-6-13(12)17-2/h5-6,8,11,15H,3-4,7,9H2,1-2H3
InChIKeyRYKCZMGLOVLFBC-UHFFFAOYSA-N
XLogP2.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline 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-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83950521
3-chloro-4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83960396
5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
CID 43079026
5-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitroaniline
CID 106026701
4-chloro-2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658635
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103698755
2-methoxy-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659446
2,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83953736
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(5-chloro-2-methoxyanilino)propan-1-one;dihydrochloride
CID 119634623
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962864
2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62654307
2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962534

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The IUPAC name of 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (CID 83950941) is 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The canonical SMILES for 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is COc1ccc(Cl)cc1NCC1CCCN1C.
What is the InChIKey of 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The InChIKey is RYKCZMGLOVLFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-16-7-3-4-11(16)9-15-12-8-10(14)5-6-13(12)17-2/h5-6,8,11,15H,3-4,7,9H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline has a molecular weight of 254.76 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is sourced from PubChem (CID 83950941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).