N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine

C13H15ClN2 — CID 66400598

IUPACN-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
SMILESCn1ccc(CNCc2ccccc2Cl)c1
InChIInChI=1S/C13H15ClN2/c1-16-7-6-11(10-16)8-15-9-12-4-2-3-5-13(12)14/h2-7,10,15H,8-9H2,1H3
InChIKeyUQOBAWBAPVGUBE-UHFFFAOYSA-N
MW234.73 g/mol
LogP2.97
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine

N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine (PubChem CID 66400598) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
PubChem CID66400598
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
SMILESCn1ccc(CNCc2ccccc2Cl)c1
InChIInChI=1S/C13H15ClN2/c1-16-7-6-11(10-16)8-15-9-12-4-2-3-5-13(12)14/h2-7,10,15H,8-9H2,1H3
InChIKeyUQOBAWBAPVGUBE-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66404531
2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399352
2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 130478299
N-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine
CID 66397506
N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66397712
1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404694
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78920973
N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 47052625
N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 82732935
2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110782630
5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28614149
N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 114698730

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine (CID 66400598) is N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine is Cn1ccc(CNCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
The InChIKey is UQOBAWBAPVGUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-16-7-6-11(10-16)8-15-9-12-4-2-3-5-13(12)14/h2-7,10,15H,8-9H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine has a molecular weight of 234.73 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine is sourced from PubChem (CID 66400598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).