N-[(4-bromophenyl)methyl]-6-methylpyridin-2-amine

C13H13BrN2 — CID 975979

IUPACN-[(4-bromophenyl)methyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NCc2ccc(Br)cc2)n1
InChIInChI=1S/C13H13BrN2/c1-10-3-2-4-13(16-10)15-9-11-5-7-12(14)8-6-11/h2-8H,9H2,1H3,(H,15,16)
InChIKeyKFIUYAVUTYNPAR-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.76
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-6-methylpyridin-2-amine

N-[(4-bromophenyl)methyl]-6-methylpyridin-2-amine (PubChem CID 975979) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-6-methylpyridin-2-amine
PubChem CID975979
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC NameN-[(4-bromophenyl)methyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NCc2ccc(Br)cc2)n1
InChIInChI=1S/C13H13BrN2/c1-10-3-2-4-13(16-10)15-9-11-5-7-12(14)8-6-11/h2-8H,9H2,1H3,(H,15,16)
InChIKeyKFIUYAVUTYNPAR-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-Bromophenyl)-6-ethylpyrimidine-2,4-diamine
CID 134626
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 2429552
AS1269574
CID 5332859
BW 50-322
CID 134623
PETT deriv. 6
CID 492697
4-Methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine
CID 130449148
Thiourea, N-(3-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 3001118
(9R,13R)-4-bromo-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 44409316
(4-Dimethylamino-benzyl)-(6-methyl-pyridin-2-yl)-amine
CID 975714
1-(5-bromo-2-pyridyl)-3-[(1R)-1-phenylethyl]thiourea
CID 3002360
1-Benzyl-3-(6-methylpyridin-2-yl)urea
CID 16764115

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-6-methylpyridin-2-amine (CID 975979) is N-[(4-bromophenyl)methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-6-methylpyridin-2-amine is Cc1cccc(NCc2ccc(Br)cc2)n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-6-methylpyridin-2-amine?
The InChIKey is KFIUYAVUTYNPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-10-3-2-4-13(16-10)15-9-11-5-7-12(14)8-6-11/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of N-[(4-bromophenyl)methyl]-6-methylpyridin-2-amine?
N-[(4-bromophenyl)methyl]-6-methylpyridin-2-amine has a molecular weight of 277.17 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 975979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).