4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine

C16H20BrN — CID 113384458

IUPAC4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine
SMILESCCC(Nc1ccc(Br)c2ccccc12)C(C)C
InChIInChI=1S/C16H20BrN/c1-4-15(11(2)3)18-16-10-9-14(17)12-7-5-6-8-13(12)16/h5-11,15,18H,4H2,1-3H3
InChIKeyIUGLYIWBAWHWAB-UHFFFAOYSA-N
MW306.25 g/mol
LogP5.45
Rot. Bonds4

About 4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine

4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine (PubChem CID 113384458) has the molecular formula C16H20BrN and a molecular weight of 306.25 g/mol. Its IUPAC name is 4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine.

Molecular Properties

Compound Name4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine
PubChem CID113384458
Molecular FormulaC16H20BrN
Molecular Weight306.25 g/mol
Exact Mass305.08
IUPAC Name4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine
SMILESCCC(Nc1ccc(Br)c2ccccc12)C(C)C
InChIInChI=1S/C16H20BrN/c1-4-15(11(2)3)18-16-10-9-14(17)12-7-5-6-8-13(12)16/h5-11,15,18H,4H2,1-3H3
InChIKeyIUGLYIWBAWHWAB-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.25
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 75303
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N-(1-Naphthyl)hexadecylamine
CID 238007
4-Bromo-N,2-diethylaniline
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1-Naphthalenamine, N-ethyl-, hydrobromide (1:1)
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4-bromo-N-(1-phenylbut-3-enyl)aniline
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Urea, 1-(2-bromoethyl)-3-(4-bromo-1-naphthyl)-
CID 3025303
beta-alanine, n-(5-bromo-1-naphthalenyl)-, monosodium salt
CID 23681177
1-Naphthalenamine, N-(1-methylpropyl)-
CID 43191134
6-Bromo-5-methyl-1,2,3,4-tetrahydroquinoline
CID 72710358
(3aR,4S,9bS)-8-bromo-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 26155642

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine?
The IUPAC name of 4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine (CID 113384458) is 4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine.
What is the SMILES notation for 4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine?
The canonical SMILES for 4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine is CCC(Nc1ccc(Br)c2ccccc12)C(C)C.
What is the InChIKey of 4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine?
The InChIKey is IUGLYIWBAWHWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN/c1-4-15(11(2)3)18-16-10-9-14(17)12-7-5-6-8-13(12)16/h5-11,15,18H,4H2,1-3H3.
What are the key properties of 4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine?
4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine has a molecular weight of 306.25 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine is sourced from PubChem (CID 113384458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).