2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine

C16H20N2 — CID 83972840

IUPAC2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
SMILESCc1ccc(C(CN)Cc2cccnc2)c(C)c1
InChIInChI=1S/C16H20N2/c1-12-5-6-16(13(2)8-12)15(10-17)9-14-4-3-7-18-11-14/h3-8,11,15H,9-10,17H2,1-2H3
InChIKeyGDPREEFUVIBYCX-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.98
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine

2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine (PubChem CID 83972840) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
PubChem CID83972840
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
SMILESCc1ccc(C(CN)Cc2cccnc2)c(C)c1
InChIInChI=1S/C16H20N2/c1-12-5-6-16(13(2)8-12)15(10-17)9-14-4-3-7-18-11-14/h3-8,11,15H,9-10,17H2,1-2H3
InChIKeyGDPREEFUVIBYCX-UHFFFAOYSA-N
XLogP2.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine
CID 62802997
2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83972875
3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972824
2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 83972735
2-(2,4-dimethylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83972876
1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549906
[1-(2-bromo-4-methylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333676
4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol
CID 83972856
1-(2,5-dimethylphenyl)-3-pyridin-3-ylpropan-2-ol
CID 62552066
2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 83972858
3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 112538798
2-(5-methoxy-1H-indol-3-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976611

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine (CID 83972840) is 2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine is Cc1ccc(C(CN)Cc2cccnc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine?
The InChIKey is GDPREEFUVIBYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-5-6-16(13(2)8-12)15(10-17)9-14-4-3-7-18-11-14/h3-8,11,15H,9-10,17H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine?
2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 83972840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).