5-bromo-2-chloro-N-[(1-ethylpyrrol-2-yl)methyl]aniline

C13H14BrClN2 — CID 66445591

IUPAC5-bromo-2-chloro-N-[(1-ethylpyrrol-2-yl)methyl]aniline
SMILESCCn1cccc1CNc1cc(Br)ccc1Cl
InChIInChI=1S/C13H14BrClN2/c1-2-17-7-3-4-11(17)9-16-13-8-10(14)5-6-12(13)15/h3-8,16H,2,9H2,1H3
InChIKeyGMEOATSGNZUKDN-UHFFFAOYSA-N
MW313.63 g/mol
LogP4.54
Rot. Bonds4

About 5-bromo-2-chloro-N-[(1-ethylpyrrol-2-yl)methyl]aniline

5-bromo-2-chloro-N-[(1-ethylpyrrol-2-yl)methyl]aniline (PubChem CID 66445591) has the molecular formula C13H14BrClN2 and a molecular weight of 313.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(1-ethylpyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(1-ethylpyrrol-2-yl)methyl]aniline
PubChem CID66445591
Molecular FormulaC13H14BrClN2
Molecular Weight313.63 g/mol
Exact Mass312.00
IUPAC Name5-bromo-2-chloro-N-[(1-ethylpyrrol-2-yl)methyl]aniline
SMILESCCn1cccc1CNc1cc(Br)ccc1Cl
InChIInChI=1S/C13H14BrClN2/c1-2-17-7-3-4-11(17)9-16-13-8-10(14)5-6-12(13)15/h3-8,16H,2,9H2,1H3
InChIKeyGMEOATSGNZUKDN-UHFFFAOYSA-N
XLogP4.54
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.63
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline
CID 66410961
N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 62908256
4-bromo-2-ethyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 81291640
5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 63478416
N-[(1-ethylpyrrol-2-yl)methyl]-2-iodoaniline
CID 66413670
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline
CID 66411289
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline
CID 66412091
2-bromo-5-chloro-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 81263969
N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66411865
4-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoroaniline
CID 66445212
N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine
CID 106571125
5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62130636

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(1-ethylpyrrol-2-yl)methyl]aniline?
The IUPAC name of 5-bromo-2-chloro-N-[(1-ethylpyrrol-2-yl)methyl]aniline (CID 66445591) is 5-bromo-2-chloro-N-[(1-ethylpyrrol-2-yl)methyl]aniline.
What is the SMILES notation for 5-bromo-2-chloro-N-[(1-ethylpyrrol-2-yl)methyl]aniline?
The canonical SMILES for 5-bromo-2-chloro-N-[(1-ethylpyrrol-2-yl)methyl]aniline is CCn1cccc1CNc1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(1-ethylpyrrol-2-yl)methyl]aniline?
The InChIKey is GMEOATSGNZUKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2/c1-2-17-7-3-4-11(17)9-16-13-8-10(14)5-6-12(13)15/h3-8,16H,2,9H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-[(1-ethylpyrrol-2-yl)methyl]aniline?
5-bromo-2-chloro-N-[(1-ethylpyrrol-2-yl)methyl]aniline has a molecular weight of 313.63 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(1-ethylpyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 66445591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).