6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine

C15H16BrN — CID 114472442

IUPAC6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine
SMILESC=C(C)CCNc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H16BrN/c1-11(2)7-8-17-15-6-4-12-9-14(16)5-3-13(12)10-15/h3-6,9-10,17H,1,7-8H2,2H3
InChIKeyNJKUKTHRKYNGCG-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.98
Rot. Bonds4

About 6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine

6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine (PubChem CID 114472442) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is 6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine
PubChem CID114472442
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine
SMILESC=C(C)CCNc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H16BrN/c1-11(2)7-8-17-15-6-4-12-9-14(16)5-3-13(12)10-15/h3-6,9-10,17H,1,7-8H2,2H3
InChIKeyNJKUKTHRKYNGCG-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-fluoro-N-(3-methylbut-3-enyl)aniline
CID 114472052
4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide
CID 81260425
4-bromo-N-[2-(3-methylbut-3-enoxy)ethyl]aniline
CID 114470913
6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine
CID 81266198
3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 81411268
6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine
CID 115328408
6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine
CID 116615684
4-ethoxy-N-(3-methylbut-3-enyl)aniline
CID 114471877
N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide
CID 81266206
N-(3-methylbut-3-enyl)-4-(trifluoromethyl)aniline
CID 114471916
3-chloro-4-methoxy-N-(3-methylbut-3-enyl)aniline
CID 114471881
2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 81266788

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine?
The IUPAC name of 6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine (CID 114472442) is 6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine is C=C(C)CCNc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine?
The InChIKey is NJKUKTHRKYNGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-11(2)7-8-17-15-6-4-12-9-14(16)5-3-13(12)10-15/h3-6,9-10,17H,1,7-8H2,2H3.
What are the key properties of 6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine?
6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine has a molecular weight of 290.20 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine is sourced from PubChem (CID 114472442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).