5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline

C16H15BrClN — CID 79983845

IUPAC5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline
SMILESClc1ccc(Br)cc1NCc1ccc(C2CC2)cc1
InChIInChI=1S/C16H15BrClN/c17-14-7-8-15(18)16(9-14)19-10-11-1-3-12(4-2-11)13-5-6-13/h1-4,7-9,13,19H,5-6,10H2
InChIKeySBVWZEDITGVCDO-UHFFFAOYSA-N
MW336.66 g/mol
LogP5.59
Rot. Bonds4

About 5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline

5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline (PubChem CID 79983845) has the molecular formula C16H15BrClN and a molecular weight of 336.66 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline
PubChem CID79983845
Molecular FormulaC16H15BrClN
Molecular Weight336.66 g/mol
Exact Mass335.01
IUPAC Name5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline
SMILESClc1ccc(Br)cc1NCc1ccc(C2CC2)cc1
InChIInChI=1S/C16H15BrClN/c17-14-7-8-15(18)16(9-14)19-10-11-1-3-12(4-2-11)13-5-6-13/h1-4,7-9,13,19H,5-6,10H2
InChIKeySBVWZEDITGVCDO-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.66
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79979064
2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline
CID 79979427
4-[(5-bromo-2-chloroanilino)methyl]benzonitrile
CID 55130313
6-chloro-N-[(4-cyclopropylphenyl)methyl]-1,3-benzodioxol-5-amine
CID 79969403
4-bromo-2-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979060
5-bromo-2-chloro-N-[(4-propoxyphenyl)methyl]aniline
CID 63478441
4-[(5-bromo-2-chloroanilino)methyl]-2-fluorophenol
CID 107685767
4-[(5-bromo-2-chloroanilino)methyl]-2,6-difluorophenol
CID 79891306
4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene
CID 123676769
5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 63478416
3-bromo-5-chloro-N-[(4-cyclopropylphenyl)methyl]-2-methoxyaniline
CID 79968459
N-[(4-bromophenyl)methyl]-2-chloro-5-nitroaniline
CID 43718810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline?
The IUPAC name of 5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline (CID 79983845) is 5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline.
What is the SMILES notation for 5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline?
The canonical SMILES for 5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline is Clc1ccc(Br)cc1NCc1ccc(C2CC2)cc1.
What is the InChIKey of 5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline?
The InChIKey is SBVWZEDITGVCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN/c17-14-7-8-15(18)16(9-14)19-10-11-1-3-12(4-2-11)13-5-6-13/h1-4,7-9,13,19H,5-6,10H2.
What are the key properties of 5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline?
5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline has a molecular weight of 336.66 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline is sourced from PubChem (CID 79983845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).