1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine

C15H18N2 — CID 62802997

IUPAC1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine
SMILESCc1ccc(C(N)Cc2cccnc2)c(C)c1
InChIInChI=1S/C15H18N2/c1-11-5-6-14(12(2)8-11)15(16)9-13-4-3-7-17-10-13/h3-8,10,15H,9,16H2,1-2H3
InChIKeyFMWZJWCTCGQFNP-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.94
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine

1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine (PubChem CID 62802997) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine
PubChem CID62802997
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine
SMILESCc1ccc(C(N)Cc2cccnc2)c(C)c1
InChIInChI=1S/C15H18N2/c1-11-5-6-14(12(2)8-11)15(16)9-13-4-3-7-17-10-13/h3-8,10,15H,9,16H2,1-2H3
InChIKeyFMWZJWCTCGQFNP-UHFFFAOYSA-N
XLogP2.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 83972840
2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine
CID 105036620
1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine
CID 115864016
1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine
CID 105034708
1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549906
[1-(2-bromo-4-methylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333676
1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105115823
1-(2,5-dimethylphenyl)-3-pyridin-3-ylpropan-2-ol
CID 62552066
1-(4-methoxy-3-methylphenyl)-2-pyridin-3-ylethanamine
CID 104736678
4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 105121222
1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine
CID 105034465
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine (CID 62802997) is 1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine is Cc1ccc(C(N)Cc2cccnc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine?
The InChIKey is FMWZJWCTCGQFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11-5-6-14(12(2)8-11)15(16)9-13-4-3-7-17-10-13/h3-8,10,15H,9,16H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine?
1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine has a molecular weight of 226.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 62802997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).