6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine

C19H18BrN — CID 81266198

IUPAC6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine
SMILESCCc1ccc(CNc2ccc3cc(Br)ccc3c2)cc1
InChIInChI=1S/C19H18BrN/c1-2-14-3-5-15(6-4-14)13-21-19-10-8-16-11-18(20)9-7-17(16)12-19/h3-12,21H,2,13H2,1H3
InChIKeyNOBXGIKOUXHXIQ-UHFFFAOYSA-N
MW340.26 g/mol
LogP5.78
Rot. Bonds4

About 6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine

6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine (PubChem CID 81266198) has the molecular formula C19H18BrN and a molecular weight of 340.26 g/mol. Its IUPAC name is 6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine
PubChem CID81266198
Molecular FormulaC19H18BrN
Molecular Weight340.26 g/mol
Exact Mass339.06
IUPAC Name6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine
SMILESCCc1ccc(CNc2ccc3cc(Br)ccc3c2)cc1
InChIInChI=1S/C19H18BrN/c1-2-14-3-5-15(6-4-14)13-21-19-10-8-16-11-18(20)9-7-17(16)12-19/h3-12,21H,2,13H2,1H3
InChIKeyNOBXGIKOUXHXIQ-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.26
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine
CID 81260326
6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine
CID 81260087
6-bromo-N-(furan-3-ylmethyl)naphthalen-2-amine
CID 81260316
N-[(4-ethylphenyl)methyl]-1H-indol-5-amine
CID 28546654
6-bromo-N-[(5-methylthiophen-2-yl)methyl]naphthalen-2-amine
CID 81259786
6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine
CID 114472442
N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine
CID 43743407
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
4-bromo-N-[(4-ethylphenyl)methyl]-3-nitroaniline
CID 79768069
4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline
CID 63449116
N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine
CID 66475011
6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine
CID 81265976

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine (CID 81266198) is 6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine is CCc1ccc(CNc2ccc3cc(Br)ccc3c2)cc1.
What is the InChIKey of 6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine?
The InChIKey is NOBXGIKOUXHXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN/c1-2-14-3-5-15(6-4-14)13-21-19-10-8-16-11-18(20)9-7-17(16)12-19/h3-12,21H,2,13H2,1H3.
What are the key properties of 6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine?
6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine has a molecular weight of 340.26 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine is sourced from PubChem (CID 81266198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).