6-bromo-N,N-dibutylnaphthalen-2-amine

C18H24BrN — CID 13169153

IUPAC6-bromo-N,N-dibutylnaphthalen-2-amine
SMILESCCCCN(CCCC)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H24BrN/c1-3-5-11-20(12-6-4-2)18-10-8-15-13-17(19)9-7-16(15)14-18/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKeyHYWTZZAYOKZIKX-UHFFFAOYSA-N
MW334.30 g/mol
LogP6.01
Rot. Bonds7

About 6-bromo-N,N-dibutylnaphthalen-2-amine

6-bromo-N,N-dibutylnaphthalen-2-amine (PubChem CID 13169153) has the molecular formula C18H24BrN and a molecular weight of 334.30 g/mol. Its IUPAC name is 6-bromo-N,N-dibutylnaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N,N-dibutylnaphthalen-2-amine
PubChem CID13169153
Molecular FormulaC18H24BrN
Molecular Weight334.30 g/mol
Exact Mass333.11
IUPAC Name6-bromo-N,N-dibutylnaphthalen-2-amine
SMILESCCCCN(CCCC)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H24BrN/c1-3-5-11-20(12-6-4-2)18-10-8-15-13-17(19)9-7-16(15)14-18/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKeyHYWTZZAYOKZIKX-UHFFFAOYSA-N
XLogP6.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.30
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-N,N-dibutylnaphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-6-bromonaphthalene
CID 348404
1-Bromo-4-(Dimethylamino)Naphthalene
CID 4083804
(9-Bromophenanthren-3-yl)-trimethylazanium iodide
CID 45488197
(3aR,6aR)-1-(6-Bromo-naphthalen-2-yl)-5-methyl-octahydropyrrolo[3,4-b]pyrrole
CID 44221915
9-Bromo-5-ethyl-5,6,11,12-tetrahydro-dibenzo[b,f]azocine
CID 44409299
5-Bromo-2-(3-methylphenyl)isoindoline
CID 900123
2-(4-Bromophenyl)-3-[4-[2-cyanoethyl(methyl)amino]phenyl]prop-2-enenitrile
CID 305297
2-Naphthalenamine, N,N-bis(2-bromoethyl)-
CID 99654
7-bromo-N,N-dimethyl-9H-fluoren-2-amine
CID 24858056
(E)-4-(2-(4-Bromophenyl)ethenyl)benzenamine, N,N-dimethyl-
CID 5463086
7-Bromonaphthalen-2-amine
CID 22240243
7-bromo-N-methyl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-9H-fluoren-2-amine
CID 52915414

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-dibutylnaphthalen-2-amine?
The IUPAC name of 6-bromo-N,N-dibutylnaphthalen-2-amine (CID 13169153) is 6-bromo-N,N-dibutylnaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N,N-dibutylnaphthalen-2-amine?
The canonical SMILES for 6-bromo-N,N-dibutylnaphthalen-2-amine is CCCCN(CCCC)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N,N-dibutylnaphthalen-2-amine?
The InChIKey is HYWTZZAYOKZIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN/c1-3-5-11-20(12-6-4-2)18-10-8-15-13-17(19)9-7-16(15)14-18/h7-10,13-14H,3-6,11-12H2,1-2H3.
What are the key properties of 6-bromo-N,N-dibutylnaphthalen-2-amine?
6-bromo-N,N-dibutylnaphthalen-2-amine has a molecular weight of 334.30 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-dibutylnaphthalen-2-amine is sourced from PubChem (CID 13169153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).