6-bromo-N,N-dimethyl-3-pentylnaphthalen-2-amine

C17H22BrN — CID 67262049

IUPAC6-bromo-N,N-dimethyl-3-pentylnaphthalen-2-amine
SMILESCCCCCc1cc2cc(Br)ccc2cc1N(C)C
InChIInChI=1S/C17H22BrN/c1-4-5-6-7-14-10-15-11-16(18)9-8-13(15)12-17(14)19(2)3/h8-12H,4-7H2,1-3H3
InChIKeyBDCCPZPTOORIEZ-UHFFFAOYSA-N
MW320.27 g/mol
LogP5.40
Rot. Bonds5

About 6-bromo-N,N-dimethyl-3-pentylnaphthalen-2-amine

6-bromo-N,N-dimethyl-3-pentylnaphthalen-2-amine (PubChem CID 67262049) has the molecular formula C17H22BrN and a molecular weight of 320.27 g/mol. Its IUPAC name is 6-bromo-N,N-dimethyl-3-pentylnaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N,N-dimethyl-3-pentylnaphthalen-2-amine
PubChem CID67262049
Molecular FormulaC17H22BrN
Molecular Weight320.27 g/mol
Exact Mass319.09
IUPAC Name6-bromo-N,N-dimethyl-3-pentylnaphthalen-2-amine
SMILESCCCCCc1cc2cc(Br)ccc2cc1N(C)C
InChIInChI=1S/C17H22BrN/c1-4-5-6-7-14-10-15-11-16(18)9-8-13(15)12-17(14)19(2)3/h8-12H,4-7H2,1-3H3
InChIKeyBDCCPZPTOORIEZ-UHFFFAOYSA-N
XLogP5.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.27
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-dimethyl-3-pentylnaphthalen-2-amine?
The IUPAC name of 6-bromo-N,N-dimethyl-3-pentylnaphthalen-2-amine (CID 67262049) is 6-bromo-N,N-dimethyl-3-pentylnaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N,N-dimethyl-3-pentylnaphthalen-2-amine?
The canonical SMILES for 6-bromo-N,N-dimethyl-3-pentylnaphthalen-2-amine is CCCCCc1cc2cc(Br)ccc2cc1N(C)C.
What is the InChIKey of 6-bromo-N,N-dimethyl-3-pentylnaphthalen-2-amine?
The InChIKey is BDCCPZPTOORIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN/c1-4-5-6-7-14-10-15-11-16(18)9-8-13(15)12-17(14)19(2)3/h8-12H,4-7H2,1-3H3.
What are the key properties of 6-bromo-N,N-dimethyl-3-pentylnaphthalen-2-amine?
6-bromo-N,N-dimethyl-3-pentylnaphthalen-2-amine has a molecular weight of 320.27 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-dimethyl-3-pentylnaphthalen-2-amine is sourced from PubChem (CID 67262049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).