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

C13H18N2 — CID 79508850

IUPACN-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCc1ccc(NC2=NCCCC2)c(C)c1
InChIInChI=1S/C13H18N2/c1-10-6-7-12(11(2)9-10)15-13-5-3-4-8-14-13/h6-7,9H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyVMVRDTZHFNMBOG-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.30
Rot. Bonds1

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

N-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79508850) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79508850
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCc1ccc(NC2=NCCCC2)c(C)c1
InChIInChI=1S/C13H18N2/c1-10-6-7-12(11(2)9-10)15-13-5-3-4-8-14-13/h6-7,9H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyVMVRDTZHFNMBOG-UHFFFAOYSA-N
XLogP3.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-methylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 112724119
N-(2-bromo-5-methylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 82757023
N-(5-methyl-2-pyrrolidin-1-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 15746279
N-(4-methyl-2-morpholin-4-ylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 15746220
N-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine chloride
CID 21177472
N-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine bromide
CID 21176981
N-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 7059356
N-(2,6-dibromo-4-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508005
N-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 145045272
N-(4-fluoro-3-methylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79508380
N-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 145045216
N-[4-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methoxyphenyl]-2-methoxyphenyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 10499886

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 79508850) is N-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine is Cc1ccc(NC2=NCCCC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is VMVRDTZHFNMBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-6-7-12(11(2)9-10)15-13-5-3-4-8-14-13/h6-7,9H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of N-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 202.30 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79508850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).