4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline

C13H15ClN2 — CID 66399769

IUPAC4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
SMILESCc1cc(Cl)ccc1NCc1ccn(C)c1
InChIInChI=1S/C13H15ClN2/c1-10-7-12(14)3-4-13(10)15-8-11-5-6-16(2)9-11/h3-7,9,15H,8H2,1-2H3
InChIKeyKDFJZDWFEPZLNX-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.60
Rot. Bonds3

About 4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline

4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline (PubChem CID 66399769) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
PubChem CID66399769
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
SMILESCc1cc(Cl)ccc1NCc1ccn(C)c1
InChIInChI=1S/C13H15ClN2/c1-10-7-12(14)3-4-13(10)15-8-11-5-6-16(2)9-11/h3-7,9,15H,8H2,1-2H3
InChIKeyKDFJZDWFEPZLNX-UHFFFAOYSA-N
XLogP3.60
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-chloro-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 81271039
4-N,4-N,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine
CID 66400206
methyl 5-chloro-2-[(1-methylpyrrol-3-yl)methylamino]benzoate
CID 66397669
4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline
CID 28545153
4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43766570
2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64830927
4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63420408
4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 5209751
N-[(3-bromo-4-fluorophenyl)methyl]-4-chloro-2-methylaniline
CID 30059054
2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol
CID 107740487
6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
CID 115925226
1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 104954401

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline (CID 66399769) is 4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline is Cc1cc(Cl)ccc1NCc1ccn(C)c1.
What is the InChIKey of 4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline?
The InChIKey is KDFJZDWFEPZLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-10-7-12(14)3-4-13(10)15-8-11-5-6-16(2)9-11/h3-7,9,15H,8H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline?
4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline has a molecular weight of 234.73 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 66399769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).