6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine

C19H16BrN — CID 115328408

IUPAC6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine
SMILESC=C(CNc1ccc2cc(Br)ccc2c1)c1ccccc1
InChIInChI=1S/C19H16BrN/c1-14(15-5-3-2-4-6-15)13-21-19-10-8-16-11-18(20)9-7-17(16)12-19/h2-12,21H,1,13H2
InChIKeyBGQCEFHTXOBUDF-UHFFFAOYSA-N
MW338.25 g/mol
LogP5.73
Rot. Bonds4

About 6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine

6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine (PubChem CID 115328408) has the molecular formula C19H16BrN and a molecular weight of 338.25 g/mol. Its IUPAC name is 6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine
PubChem CID115328408
Molecular FormulaC19H16BrN
Molecular Weight338.25 g/mol
Exact Mass337.05
IUPAC Name6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine
SMILESC=C(CNc1ccc2cc(Br)ccc2c1)c1ccccc1
InChIInChI=1S/C19H16BrN/c1-14(15-5-3-2-4-6-15)13-21-19-10-8-16-11-18(20)9-7-17(16)12-19/h2-12,21H,1,13H2
InChIKeyBGQCEFHTXOBUDF-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.25
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dichloro-N-(2-phenylprop-2-enyl)aniline
CID 113288075
6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine
CID 114472442
4-(2-phenylprop-2-enylamino)benzonitrile
CID 113288086
2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 81266788
3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 81411268
2-phenyl-N-prop-1-en-2-ylprop-2-en-1-amine
CID 134356693
2-bromonaphthalene
CID 50940586
2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 80973341
2,6-dibromonaphthalene
CID 640591
6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine
CID 81260326
6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine
CID 81266198
2-bromonaphthalene;phenol
CID 174920874

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine?
The IUPAC name of 6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine (CID 115328408) is 6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine is C=C(CNc1ccc2cc(Br)ccc2c1)c1ccccc1.
What is the InChIKey of 6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine?
The InChIKey is BGQCEFHTXOBUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN/c1-14(15-5-3-2-4-6-15)13-21-19-10-8-16-11-18(20)9-7-17(16)12-19/h2-12,21H,1,13H2.
What are the key properties of 6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine?
6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine has a molecular weight of 338.25 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine is sourced from PubChem (CID 115328408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).