N-(3-bromo-5-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine

C12H15BrN2 — CID 107583151

IUPACN-(3-bromo-5-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCc1cc(Br)cc(NC2=NCCCC2)c1
InChIInChI=1S/C12H15BrN2/c1-9-6-10(13)8-11(7-9)15-12-4-2-3-5-14-12/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyMWIDVRBPSWJNBA-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.75
Rot. Bonds1

About N-(3-bromo-5-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(3-bromo-5-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 107583151) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID107583151
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC NameN-(3-bromo-5-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCc1cc(Br)cc(NC2=NCCCC2)c1
InChIInChI=1S/C12H15BrN2/c1-9-6-10(13)8-11(7-9)15-12-4-2-3-5-14-12/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyMWIDVRBPSWJNBA-UHFFFAOYSA-N
XLogP3.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 107573549
N-(2,6-dibromo-4-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508005
N-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine bromide
CID 21176981
N-(4-fluoro-3-methylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79508380
N-(2-chloro-4-methylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 112724119
4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol
CID 115018233
4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)phenol;hydrochloride
CID 171109448
N-(5-methyl-2-pyrrolidin-1-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 15746279
2-(3-bromo-5-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 107583634
4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107576918
2-chloro-4-(2,3,4,5-tetrahydropyridin-6-ylamino)benzonitrile
CID 79509073
N-(1-butylpyrazol-4-yl)-2,3,4,5-tetrahydropyridin-6-amine
CID 99992573

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 107583151) is N-(3-bromo-5-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine is Cc1cc(Br)cc(NC2=NCCCC2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is MWIDVRBPSWJNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-9-6-10(13)8-11(7-9)15-12-4-2-3-5-14-12/h6-8H,2-5H2,1H3,(H,14,15).
What are the key properties of N-(3-bromo-5-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(3-bromo-5-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 267.17 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 107583151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).