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

C16H20N2 — CID 83972735

IUPAC2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
SMILESCc1ccc(C(CN)Cc2cccnc2)cc1C
InChIInChI=1S/C16H20N2/c1-12-5-6-15(8-13(12)2)16(10-17)9-14-4-3-7-18-11-14/h3-8,11,16H,9-10,17H2,1-2H3
InChIKeySNXRLCBPBCUJMV-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.98
Rot. Bonds4

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

2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine (PubChem CID 83972735) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
PubChem CID83972735
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
SMILESCc1ccc(C(CN)Cc2cccnc2)cc1C
InChIInChI=1S/C16H20N2/c1-12-5-6-15(8-13(12)2)16(10-17)9-14-4-3-7-18-11-14/h3-8,11,16H,9-10,17H2,1-2H3
InChIKeySNXRLCBPBCUJMV-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-(3,4-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549735
2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 83972840
2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 83972725
2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83972764
1-(4-methoxy-3-methylphenyl)-2-pyridin-3-ylethanamine
CID 104736678
3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine
CID 83972767
(3R)-3-(3,4-dichlorophenyl)-4-pyridin-3-ylbutan-1-amine
CID 118689235
3-(3-chlorophenyl)-2-pyridin-3-ylpropan-1-amine
CID 83825270
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine
CID 113297407
3-(3,4-dimethylphenyl)-N-(1-pyridin-3-ylpropan-2-yl)propanamide
CID 86286437
N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034419

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine (CID 83972735) is 2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine is Cc1ccc(C(CN)Cc2cccnc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine?
The InChIKey is SNXRLCBPBCUJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-5-6-15(8-13(12)2)16(10-17)9-14-4-3-7-18-11-14/h3-8,11,16H,9-10,17H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine?
2-(3,4-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-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 83972735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).