(6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine

C17H15BrN2 — CID 105023264

IUPAC(6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine
SMILESCc1cncc(C(N)c2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C17H15BrN2/c1-11-6-15(10-20-9-11)17(19)14-3-2-13-8-16(18)5-4-12(13)7-14/h2-10,17H,19H2,1H3
InChIKeyHYYFKDBUHMQFKS-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.35
Rot. Bonds2

About (6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine

(6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine (PubChem CID 105023264) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine
PubChem CID105023264
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name(6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine
SMILESCc1cncc(C(N)c2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C17H15BrN2/c1-11-6-15(10-20-9-11)17(19)14-3-2-13-8-16(18)5-4-12(13)7-14/h2-10,17H,19H2,1H3
InChIKeyHYYFKDBUHMQFKS-UHFFFAOYSA-N
XLogP4.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine
CID 115353742
(6-bromonaphthalen-2-yl)-(6-methyl-3-pyridinyl)methanamine
CID 115855045
(4-methoxy-3-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297303
(4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374243
(5-bromothiophen-3-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105173903
(6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816373
(2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374409
(6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine
CID 115353747
(3,5-dichlorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 105023142
furan-3-yl-(5-methyl-3-pyridinyl)methanamine
CID 115374562
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-methyl-3-pyridinyl)methanamine
CID 105143380
(6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 115852564

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine?
The IUPAC name of (6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine (CID 105023264) is (6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine is Cc1cncc(C(N)c2ccc3cc(Br)ccc3c2)c1.
What is the InChIKey of (6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine?
The InChIKey is HYYFKDBUHMQFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-11-6-15(10-20-9-11)17(19)14-3-2-13-8-16(18)5-4-12(13)7-14/h2-10,17H,19H2,1H3.
What are the key properties of (6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine?
(6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine has a molecular weight of 327.23 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105023264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).