1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine

C13H15ClN2 — CID 66404693

IUPAC1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1ccn(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H15ClN2/c1-15-8-12-6-7-16(10-12)9-11-2-4-13(14)5-3-11/h2-7,10,15H,8-9H2,1H3
InChIKeyKWMLCJMHSCGGJT-UHFFFAOYSA-N
MW234.73 g/mol
LogP2.91
Rot. Bonds4

About 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine

1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine (PubChem CID 66404693) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
PubChem CID66404693
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1ccn(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H15ClN2/c1-15-8-12-6-7-16(10-12)9-11-2-4-13(14)5-3-11/h2-7,10,15H,8-9H2,1H3
InChIKeyKWMLCJMHSCGGJT-UHFFFAOYSA-N
XLogP2.91
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66404585
1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66403663
2-fluoro-5-[[3-(methylaminomethyl)pyrrol-1-yl]methyl]benzonitrile
CID 107883313
1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404694
1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66405493
N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine
CID 66405700
1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine
CID 11424756
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66406726
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404892
N-[[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 107883316
N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine
CID 79261826
N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine
CID 66404275

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine (CID 66404693) is 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine is CNCc1ccn(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine?
The InChIKey is KWMLCJMHSCGGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-15-8-12-6-7-16(10-12)9-11-2-4-13(14)5-3-11/h2-7,10,15H,8-9H2,1H3.
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine?
1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine has a molecular weight of 234.73 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66404693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).