6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine

C16H18BrN — CID 81260160

IUPAC6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine
SMILESCCC(Nc1ccc2cc(Br)ccc2c1)C1CC1
InChIInChI=1S/C16H18BrN/c1-2-16(11-3-4-11)18-15-8-6-12-9-14(17)7-5-13(12)10-15/h5-11,16,18H,2-4H2,1H3
InChIKeyFELFRSUCEBDLDJ-UHFFFAOYSA-N
MW304.23 g/mol
LogP5.20
Rot. Bonds4

About 6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine

6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine (PubChem CID 81260160) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine
PubChem CID81260160
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine
SMILESCCC(Nc1ccc2cc(Br)ccc2c1)C1CC1
InChIInChI=1S/C16H18BrN/c1-2-16(11-3-4-11)18-15-8-6-12-9-14(17)7-5-13(12)10-15/h5-11,16,18H,2-4H2,1H3
InChIKeyFELFRSUCEBDLDJ-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.23
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine?
The IUPAC name of 6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine (CID 81260160) is 6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine is CCC(Nc1ccc2cc(Br)ccc2c1)C1CC1.
What is the InChIKey of 6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine?
The InChIKey is FELFRSUCEBDLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-2-16(11-3-4-11)18-15-8-6-12-9-14(17)7-5-13(12)10-15/h5-11,16,18H,2-4H2,1H3.
What are the key properties of 6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine?
6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine has a molecular weight of 304.23 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine is sourced from PubChem (CID 81260160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).