1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine

C12H13ClN2 — CID 103341628

IUPAC1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1-c1ccc[nH]1
InChIInChI=1S/C12H13ClN2/c1-14-8-9-4-5-10(13)7-11(9)12-3-2-6-15-12/h2-7,14-15H,8H2,1H3
InChIKeyNXMWXZYQCDQKAQ-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.05
Rot. Bonds3

About 1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine

1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine (PubChem CID 103341628) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine
PubChem CID103341628
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1-c1ccc[nH]1
InChIInChI=1S/C12H13ClN2/c1-14-8-9-4-5-10(13)7-11(9)12-3-2-6-15-12/h2-7,14-15H,8H2,1H3
InChIKeyNXMWXZYQCDQKAQ-UHFFFAOYSA-N
XLogP3.05
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 115502878
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
N-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine
CID 106888309
4-chloro-2-(methylaminomethyl)aniline
CID 21064005
N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 105349880
N-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine
CID 103341614
1-[4-(3-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 61227637
1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine
CID 66158721
1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 114863888
1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine
CID 106784013
1-[5-chloro-2-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503182
5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline
CID 114847884

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine (CID 103341628) is 1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine is CNCc1ccc(Cl)cc1-c1ccc[nH]1.
What is the InChIKey of 1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine?
The InChIKey is NXMWXZYQCDQKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-14-8-9-4-5-10(13)7-11(9)12-3-2-6-15-12/h2-7,14-15H,8H2,1H3.
What are the key properties of 1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine?
1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine has a molecular weight of 220.70 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 103341628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).