[1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine

C14H20N2 — CID 117003417

IUPAC[1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine
SMILESCc1ccc(N2CC=C(CN)CC2)c(C)c1
InChIInChI=1S/C14H20N2/c1-11-3-4-14(12(2)9-11)16-7-5-13(10-15)6-8-16/h3-5,9H,6-8,10,15H2,1-2H3
InChIKeyKOIAIYNIQQLPDA-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.40
Rot. Bonds2

About [1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine

[1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine (PubChem CID 117003417) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is [1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine
PubChem CID117003417
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name[1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine
SMILESCc1ccc(N2CC=C(CN)CC2)c(C)c1
InChIInChI=1S/C14H20N2/c1-11-3-4-14(12(2)9-11)16-7-5-13(10-15)6-8-16/h3-5,9H,6-8,10,15H2,1-2H3
InChIKeyKOIAIYNIQQLPDA-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 117003256
1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 117003167
1-(2,4-dimethylphenyl)pyrrolidin-3-one
CID 23052705
2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone
CID 4741095
1-(2-chloroethyl)-4-(2,4-dimethylphenyl)piperazine
CID 4741820
2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-amine
CID 83240723
1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine
CID 23987033
[2-(azetidin-1-yl)-5-methylphenyl]methanamine
CID 126980462
2-[1-(2,4-dimethylphenyl)pyrrolidin-3-ylidene]propanedinitrile
CID 23052853
1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine
CID 173374498
[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine
CID 117003393
(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 10330491

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine?
The IUPAC name of [1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine (CID 117003417) is [1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine.
What is the SMILES notation for [1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine?
The canonical SMILES for [1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine is Cc1ccc(N2CC=C(CN)CC2)c(C)c1.
What is the InChIKey of [1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine?
The InChIKey is KOIAIYNIQQLPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-3-4-14(12(2)9-11)16-7-5-13(10-15)6-8-16/h3-5,9H,6-8,10,15H2,1-2H3.
What are the key properties of [1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine?
[1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine has a molecular weight of 216.33 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine is sourced from PubChem (CID 117003417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).