N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine

C18H16BrN — CID 66475011

IUPACN-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine
SMILESCc1cc(CNc2ccc3ccccc3c2)ccc1Br
InChIInChI=1S/C18H16BrN/c1-13-10-14(6-9-18(13)19)12-20-17-8-7-15-4-2-3-5-16(15)11-17/h2-11,20H,12H2,1H3
InChIKeyZOFASMXFXBMMEA-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.52
Rot. Bonds3

About N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine

N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine (PubChem CID 66475011) has the molecular formula C18H16BrN and a molecular weight of 326.24 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine
PubChem CID66475011
Molecular FormulaC18H16BrN
Molecular Weight326.24 g/mol
Exact Mass325.05
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine
SMILESCc1cc(CNc2ccc3ccccc3c2)ccc1Br
InChIInChI=1S/C18H16BrN/c1-13-10-14(6-9-18(13)19)12-20-17-8-7-15-4-2-3-5-16(15)11-17/h2-11,20H,12H2,1H3
InChIKeyZOFASMXFXBMMEA-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-methylphenyl)methyl]aniline
CID 66472770
N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine
CID 43533079
4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 65437656
3-bromo-4-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 104775821
N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline
CID 66472582
2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 60962378
4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylaniline
CID 63645668
N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline
CID 66473576
N-[(4-bromo-3-methylphenyl)methyl]-4-methylsulfanylaniline
CID 66472574
1-N-[(4-bromo-3-methylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 66472389
4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol
CID 66473251
1-N-[(4-bromo-3-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376211

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine (CID 66475011) is N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine is Cc1cc(CNc2ccc3ccccc3c2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine?
The InChIKey is ZOFASMXFXBMMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN/c1-13-10-14(6-9-18(13)19)12-20-17-8-7-15-4-2-3-5-16(15)11-17/h2-11,20H,12H2,1H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine?
N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine has a molecular weight of 326.24 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine is sourced from PubChem (CID 66475011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).