4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline

C16H15BrClN — CID 55197692

IUPAC4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline
SMILESClc1cc(Br)ccc1NC(c1ccccc1)C1CC1
InChIInChI=1S/C16H15BrClN/c17-13-8-9-15(14(18)10-13)19-16(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-10,12,16,19H,6-7H2
InChIKeySSTYFVYVLHQOPL-UHFFFAOYSA-N
MW336.66 g/mol
LogP5.67
Rot. Bonds4

About 4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline

4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline (PubChem CID 55197692) has the molecular formula C16H15BrClN and a molecular weight of 336.66 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline
PubChem CID55197692
Molecular FormulaC16H15BrClN
Molecular Weight336.66 g/mol
Exact Mass335.01
IUPAC Name4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline
SMILESClc1cc(Br)ccc1NC(c1ccccc1)C1CC1
InChIInChI=1S/C16H15BrClN/c17-13-8-9-15(14(18)10-13)19-16(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-10,12,16,19H,6-7H2
InChIKeySSTYFVYVLHQOPL-UHFFFAOYSA-N
XLogP5.67
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 ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline
CID 55199390
4-bromo-2-N-[cyclopropyl(phenyl)methyl]benzene-1,2-diamine
CID 135227866
4-bromo-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422798
5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline
CID 43777577
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43774044
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]-4-fluoroaniline
CID 107572890
2-bromo-N-[cyclopropyl(phenyl)methyl]-5-fluoroaniline
CID 107633312
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422408
4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline
CID 63449062
N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline
CID 62814505
5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline
CID 63454650
4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoroaniline
CID 43759747

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline?
The IUPAC name of 4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline (CID 55197692) is 4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline.
What is the SMILES notation for 4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline?
The canonical SMILES for 4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline is Clc1cc(Br)ccc1NC(c1ccccc1)C1CC1.
What is the InChIKey of 4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline?
The InChIKey is SSTYFVYVLHQOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN/c17-13-8-9-15(14(18)10-13)19-16(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-10,12,16,19H,6-7H2.
What are the key properties of 4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline?
4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline has a molecular weight of 336.66 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline is sourced from PubChem (CID 55197692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).