2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine

C14H16Cl2N2 — CID 66399352

IUPAC2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
SMILESCn1ccc(CNCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H16Cl2N2/c1-18-7-5-11(10-18)9-17-6-4-12-2-3-13(15)8-14(12)16/h2-3,5,7-8,10,17H,4,6,9H2,1H3
InChIKeyGSTWOOZZPRLTQW-UHFFFAOYSA-N
MW283.20 g/mol
LogP3.66
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine

2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine (PubChem CID 66399352) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
PubChem CID66399352
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
SMILESCn1ccc(CNCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H16Cl2N2/c1-18-7-5-11(10-18)9-17-6-4-12-2-3-13(15)8-14(12)16/h2-3,5,7-8,10,17H,4,6,9H2,1H3
InChIKeyGSTWOOZZPRLTQW-UHFFFAOYSA-N
XLogP3.66
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209550
2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 43088170
N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 114452144
2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115523434
2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 30054388
2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 130478299
2-bromo-5-chloro-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 81271039
4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]benzoic acid;hydrochloride
CID 17209952
N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 103602762
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209702
2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 63422918

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine (CID 66399352) is 2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine is Cn1ccc(CNCCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is GSTWOOZZPRLTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c1-18-7-5-11(10-18)9-17-6-4-12-2-3-13(15)8-14(12)16/h2-3,5,7-8,10,17H,4,6,9H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 283.20 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 66399352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).