2-bromo-4-chloro-N-(1H-pyrrol-2-ylmethyl)aniline

C11H10BrClN2 — CID 81262185

IUPAC2-bromo-4-chloro-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESClc1ccc(NCc2ccc[nH]2)c(Br)c1
InChIInChI=1S/C11H10BrClN2/c12-10-6-8(13)3-4-11(10)15-7-9-2-1-5-14-9/h1-6,14-15H,7H2
InChIKeyGGPXBVGKMFVMBB-UHFFFAOYSA-N
MW285.57 g/mol
LogP4.04
Rot. Bonds3

About 2-bromo-4-chloro-N-(1H-pyrrol-2-ylmethyl)aniline

2-bromo-4-chloro-N-(1H-pyrrol-2-ylmethyl)aniline (PubChem CID 81262185) has the molecular formula C11H10BrClN2 and a molecular weight of 285.57 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(1H-pyrrol-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(1H-pyrrol-2-ylmethyl)aniline
PubChem CID81262185
Molecular FormulaC11H10BrClN2
Molecular Weight285.57 g/mol
Exact Mass283.97
IUPAC Name2-bromo-4-chloro-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESClc1ccc(NCc2ccc[nH]2)c(Br)c1
InChIInChI=1S/C11H10BrClN2/c12-10-6-8(13)3-4-11(10)15-7-9-2-1-5-14-9/h1-6,14-15H,7H2
InChIKeyGGPXBVGKMFVMBB-UHFFFAOYSA-N
XLogP4.04
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.57
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-fluoro-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62327179
N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline
CID 81262192
2-[(2-bromo-4-chloroanilino)methyl]-3-chlorophenol
CID 114318253
2-bromo-4-chloro-N-[(4-iodophenyl)methyl]aniline
CID 81270333
2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline
CID 81262877
2,3-difluoro-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62339580
2-bromo-4-chloro-N-(2-fluoroethyl)aniline
CID 81270421
6-chloro-N-(1H-pyrrol-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 62329070
2-bromo-4-chloro-N-[(2-cyclopropylphenyl)methyl]aniline
CID 81263184
2-bromo-4-chloro-N-(2,2,2-trifluoroethyl)aniline
CID 81270991
2-bromo-4-chloro-N-prop-2-ynylaniline
CID 80979911
2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
CID 81264245

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(1H-pyrrol-2-ylmethyl)aniline?
The IUPAC name of 2-bromo-4-chloro-N-(1H-pyrrol-2-ylmethyl)aniline (CID 81262185) is 2-bromo-4-chloro-N-(1H-pyrrol-2-ylmethyl)aniline.
What is the SMILES notation for 2-bromo-4-chloro-N-(1H-pyrrol-2-ylmethyl)aniline?
The canonical SMILES for 2-bromo-4-chloro-N-(1H-pyrrol-2-ylmethyl)aniline is Clc1ccc(NCc2ccc[nH]2)c(Br)c1.
What is the InChIKey of 2-bromo-4-chloro-N-(1H-pyrrol-2-ylmethyl)aniline?
The InChIKey is GGPXBVGKMFVMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2/c12-10-6-8(13)3-4-11(10)15-7-9-2-1-5-14-9/h1-6,14-15H,7H2.
What are the key properties of 2-bromo-4-chloro-N-(1H-pyrrol-2-ylmethyl)aniline?
2-bromo-4-chloro-N-(1H-pyrrol-2-ylmethyl)aniline has a molecular weight of 285.57 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(1H-pyrrol-2-ylmethyl)aniline is sourced from PubChem (CID 81262185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).