3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline

C19H18BrN — CID 107582351

IUPAC3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline
SMILESCc1cc(Br)cc(NC(C)c2cccc3ccccc23)c1
InChIInChI=1S/C19H18BrN/c1-13-10-16(20)12-17(11-13)21-14(2)18-9-5-7-15-6-3-4-8-19(15)18/h3-12,14,21H,1-2H3
InChIKeyNBFPMFHCHHZHNT-UHFFFAOYSA-N
MW340.26 g/mol
LogP6.08
Rot. Bonds3

About 3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline

3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline (PubChem CID 107582351) has the molecular formula C19H18BrN and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline
PubChem CID107582351
Molecular FormulaC19H18BrN
Molecular Weight340.26 g/mol
Exact Mass339.06
IUPAC Name3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline
SMILESCc1cc(Br)cc(NC(C)c2cccc3ccccc23)c1
InChIInChI=1S/C19H18BrN/c1-13-10-16(20)12-17(11-13)21-14(2)18-9-5-7-15-6-3-4-8-19(15)18/h3-12,14,21H,1-2H3
InChIKeyNBFPMFHCHHZHNT-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.26
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline
CID 43736721
3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline
CID 107582202
3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline
CID 107364114
2-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 43103327
N-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline
CID 67447245
N-(3,5-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397108
3-bromo-N-[(1R)-1-naphthalen-1-ylethyl]-4-propoxyaniline
CID 22943804
3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline
CID 107582127
4,6,8-trimethyl-N-(1-naphthalen-1-ylethyl)quinolin-2-amine;hydrochloride
CID 56728935
N-(1-naphthalen-1-ylethyl)-1H-pyrazol-4-amine
CID 43540043
N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline
CID 43104673
3-bromo-N-[1-(4-methoxyphenyl)ethyl]-5-methylaniline
CID 107582000

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline?
The IUPAC name of 3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline (CID 107582351) is 3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline.
What is the SMILES notation for 3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline?
The canonical SMILES for 3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline is Cc1cc(Br)cc(NC(C)c2cccc3ccccc23)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline?
The InChIKey is NBFPMFHCHHZHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN/c1-13-10-16(20)12-17(11-13)21-14(2)18-9-5-7-15-6-3-4-8-19(15)18/h3-12,14,21H,1-2H3.
What are the key properties of 3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline?
3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline has a molecular weight of 340.26 g/mol, XLogP of 6.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline is sourced from PubChem (CID 107582351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).