1-(5-bromonaphthalen-2-yl)-2,2-dimethylbutan-1-amine

C16H20BrN — CID 139609907

IUPAC1-(5-bromonaphthalen-2-yl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1ccc2c(Br)cccc2c1
InChIInChI=1S/C16H20BrN/c1-4-16(2,3)15(18)12-8-9-13-11(10-12)6-5-7-14(13)17/h5-10,15H,4,18H2,1-3H3
InChIKeyFBBZRZJWKKAKCC-UHFFFAOYSA-N
MW306.25 g/mol
LogP5.04
Rot. Bonds3

About 1-(5-bromonaphthalen-2-yl)-2,2-dimethylbutan-1-amine

1-(5-bromonaphthalen-2-yl)-2,2-dimethylbutan-1-amine (PubChem CID 139609907) has the molecular formula C16H20BrN and a molecular weight of 306.25 g/mol. Its IUPAC name is 1-(5-bromonaphthalen-2-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromonaphthalen-2-yl)-2,2-dimethylbutan-1-amine
PubChem CID139609907
Molecular FormulaC16H20BrN
Molecular Weight306.25 g/mol
Exact Mass305.08
IUPAC Name1-(5-bromonaphthalen-2-yl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1ccc2c(Br)cccc2c1
InChIInChI=1S/C16H20BrN/c1-4-16(2,3)15(18)12-8-9-13-11(10-12)6-5-7-14(13)17/h5-10,15H,4,18H2,1-3H3
InChIKeyFBBZRZJWKKAKCC-UHFFFAOYSA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.25
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(1S)-1-(1-Bromonaphthalen-2-YL)-2,2,2-trifluoroethanamine
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(3-Bromo-2,4-dimethylphenyl)methanamine
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(1S)-1-(8-bromonaphthalen-2-yl)-2,2,2-trifluoroethanamine
CID 140181596
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CID 140181715

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromonaphthalen-2-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(5-bromonaphthalen-2-yl)-2,2-dimethylbutan-1-amine (CID 139609907) is 1-(5-bromonaphthalen-2-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(5-bromonaphthalen-2-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(5-bromonaphthalen-2-yl)-2,2-dimethylbutan-1-amine is CCC(C)(C)C(N)c1ccc2c(Br)cccc2c1.
What is the InChIKey of 1-(5-bromonaphthalen-2-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is FBBZRZJWKKAKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN/c1-4-16(2,3)15(18)12-8-9-13-11(10-12)6-5-7-14(13)17/h5-10,15H,4,18H2,1-3H3.
What are the key properties of 1-(5-bromonaphthalen-2-yl)-2,2-dimethylbutan-1-amine?
1-(5-bromonaphthalen-2-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 306.25 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromonaphthalen-2-yl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 139609907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).