5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine

C17H15BrN2 — CID 115148547

IUPAC5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine
SMILESCc1cc(Br)cnc1N(C)c1ccc2ccccc2c1
InChIInChI=1S/C17H15BrN2/c1-12-9-15(18)11-19-17(12)20(2)16-8-7-13-5-3-4-6-14(13)10-16/h3-11H,1-2H3
InChIKeyJVLBHNQMEWZFQX-UHFFFAOYSA-N
MW327.23 g/mol
LogP5.07
Rot. Bonds2

About 5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine

5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine (PubChem CID 115148547) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine
PubChem CID115148547
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine
SMILESCc1cc(Br)cnc1N(C)c1ccc2ccccc2c1
InChIInChI=1S/C17H15BrN2/c1-12-9-15(18)11-19-17(12)20(2)16-8-7-13-5-3-4-6-14(13)10-16/h3-11H,1-2H3
InChIKeyJVLBHNQMEWZFQX-UHFFFAOYSA-N
XLogP5.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.23
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)isoquinolin-1-amine
CID 4321095
1-(4-Amino-butyl)-3-{3-[(5-bromo-pyridin-2-yl)-naphthalen-1-ylmethyl-amino]-propyl}-thiourea
CID 10601454
4-[(3-Amino-6-bromoisoquinolin-4-yl)diazenyl]benzenecarboximidamide
CID 118687517
7-bromo-N-(3-bromophenyl)isoquinolin-1-amine
CID 46879685
5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 975433
5-bromo-N-[4-(diethylamino)benzyl]-2-pyridinamine
CID 975753
3,5-dibromo-N-[4-(dimethylamino)benzyl]pyridin-2-amine
CID 3640000
7-N-[(3-bromophenyl)methyl]isoquinoline-1,7-diamine;dihydrochloride
CID 16680799
5-[[Methyl(1-naphthyl)amino]methyl]pyrimidine-2,4-diamine
CID 46861826
2-(5-Bromo-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 44380594
5-[(dimethylamino)methyl]-N-(3,4-dimethylphenyl)pyridin-2-amine
CID 156286814
1-(5-bromo-2-pyridyl)-3-[(1S)-1-(1-naphthyl)ethyl]thiourea
CID 3003541

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine?
The IUPAC name of 5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine (CID 115148547) is 5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine is Cc1cc(Br)cnc1N(C)c1ccc2ccccc2c1.
What is the InChIKey of 5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine?
The InChIKey is JVLBHNQMEWZFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-12-9-15(18)11-19-17(12)20(2)16-8-7-13-5-3-4-6-14(13)10-16/h3-11H,1-2H3.
What are the key properties of 5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine?
5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine has a molecular weight of 327.23 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine is sourced from PubChem (CID 115148547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).