2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline

C17H13BrClN — CID 81262877

IUPAC2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline
SMILESClc1ccc(NCc2ccc3ccccc3c2)c(Br)c1
InChIInChI=1S/C17H13BrClN/c18-16-10-15(19)7-8-17(16)20-11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10,20H,11H2
InChIKeyPMSNLMAXYQIGQC-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.87
Rot. Bonds3

About 2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline

2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline (PubChem CID 81262877) has the molecular formula C17H13BrClN and a molecular weight of 346.66 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline
PubChem CID81262877
Molecular FormulaC17H13BrClN
Molecular Weight346.66 g/mol
Exact Mass344.99
IUPAC Name2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline
SMILESClc1ccc(NCc2ccc3ccccc3c2)c(Br)c1
InChIInChI=1S/C17H13BrClN/c18-16-10-15(19)7-8-17(16)20-11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10,20H,11H2
InChIKeyPMSNLMAXYQIGQC-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline
CID 81263311
2-bromo-4-chloro-N-[(4-iodophenyl)methyl]aniline
CID 81270333
4-[(2-bromo-4-chloroanilino)methyl]benzonitrile
CID 81262865
2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
CID 81264245
3-bromo-4-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 104775821
5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline
CID 107591565
2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline
CID 81264495
N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline
CID 81262192
2-bromo-5-chloro-N-(isoquinolin-6-ylmethyl)aniline
CID 107038660
3-[(2-bromo-4-chloroanilino)methyl]benzamide
CID 80979619
4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 65437656
N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine
CID 43533079

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline?
The IUPAC name of 2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline (CID 81262877) is 2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline.
What is the SMILES notation for 2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline?
The canonical SMILES for 2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline is Clc1ccc(NCc2ccc3ccccc3c2)c(Br)c1.
What is the InChIKey of 2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline?
The InChIKey is PMSNLMAXYQIGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN/c18-16-10-15(19)7-8-17(16)20-11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10,20H,11H2.
What are the key properties of 2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline?
2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline has a molecular weight of 346.66 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline is sourced from PubChem (CID 81262877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).