6-bromo-N-hexan-2-ylnaphthalen-2-amine

C16H20BrN — CID 81259713

IUPAC6-bromo-N-hexan-2-ylnaphthalen-2-amine
SMILESCCCCC(C)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H20BrN/c1-3-4-5-12(2)18-16-9-7-13-10-15(17)8-6-14(13)11-16/h6-12,18H,3-5H2,1-2H3
InChIKeyQYCLZULTGZGVOT-UHFFFAOYSA-N
MW306.25 g/mol
LogP5.59
Rot. Bonds5

About 6-bromo-N-hexan-2-ylnaphthalen-2-amine

6-bromo-N-hexan-2-ylnaphthalen-2-amine (PubChem CID 81259713) has the molecular formula C16H20BrN and a molecular weight of 306.25 g/mol. Its IUPAC name is 6-bromo-N-hexan-2-ylnaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-hexan-2-ylnaphthalen-2-amine
PubChem CID81259713
Molecular FormulaC16H20BrN
Molecular Weight306.25 g/mol
Exact Mass305.08
IUPAC Name6-bromo-N-hexan-2-ylnaphthalen-2-amine
SMILESCCCCC(C)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H20BrN/c1-3-4-5-12(2)18-16-9-7-13-10-15(17)8-6-14(13)11-16/h6-12,18H,3-5H2,1-2H3
InChIKeyQYCLZULTGZGVOT-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.25
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine
CID 81260554
N-hexan-2-ylquinolin-6-amine
CID 62636483
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
N-hexan-2-yl-4-propan-2-ylaniline
CID 43760569
N-hexan-2-yl-4-[3-[4-(hexan-2-ylamino)phenoxy]propoxy]aniline
CID 54014240
N-hexan-2-yl-4-[[4-(hexan-2-ylamino)phenoxy]methoxy]aniline
CID 161243666
N-octan-2-yl-1H-indol-5-amine
CID 43130007
N-hexan-2-yl-3-propan-2-ylaniline
CID 43768976
N-hexan-2-yl-4-propoxyaniline
CID 21311820
5-bromo-2-fluoro-N-heptan-2-ylaniline
CID 43555241
6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine
CID 81260160
1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine
CID 115832663

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-hexan-2-ylnaphthalen-2-amine?
The IUPAC name of 6-bromo-N-hexan-2-ylnaphthalen-2-amine (CID 81259713) is 6-bromo-N-hexan-2-ylnaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-hexan-2-ylnaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-hexan-2-ylnaphthalen-2-amine is CCCCC(C)Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-hexan-2-ylnaphthalen-2-amine?
The InChIKey is QYCLZULTGZGVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN/c1-3-4-5-12(2)18-16-9-7-13-10-15(17)8-6-14(13)11-16/h6-12,18H,3-5H2,1-2H3.
What are the key properties of 6-bromo-N-hexan-2-ylnaphthalen-2-amine?
6-bromo-N-hexan-2-ylnaphthalen-2-amine has a molecular weight of 306.25 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-hexan-2-ylnaphthalen-2-amine is sourced from PubChem (CID 81259713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).