1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

C14H17ClN2 — CID 46398470

IUPAC1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
SMILESCC(NCc1cccn1C)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2/c1-11(12-5-7-13(15)8-6-12)16-10-14-4-3-9-17(14)2/h3-9,11,16H,10H2,1-2H3
InChIKeyGFASFTQDUJYYHM-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.53
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (PubChem CID 46398470) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
PubChem CID46398470
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
SMILESCC(NCc1cccn1C)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2/c1-11(12-5-7-13(15)8-6-12)16-10-14-4-3-9-17(14)2/h3-9,11,16H,10H2,1-2H3
InChIKeyGFASFTQDUJYYHM-UHFFFAOYSA-N
XLogP3.53
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 81372404
1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 46398344
(1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 81351998
(1S)-1-(1,3-benzodioxol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 129367476
(1R)-1-(3-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 25264906
(1S)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 81403202
(1R)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 81403604
N-[(1-methylpyrrol-2-yl)methyl]-1-(3-nitrophenyl)ethanamine
CID 62131512
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
(2S)-3-methyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol
CID 79249305
(1S)-1-(4-chlorophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81354039
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 64799716

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (CID 46398470) is 1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine is CC(NCc1cccn1C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is GFASFTQDUJYYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-11(12-5-7-13(15)8-6-12)16-10-14-4-3-9-17(14)2/h3-9,11,16H,10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 248.76 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 46398470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).