1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine

C17H22N2 — CID 43178454

IUPAC1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
SMILESCCC(NCCc1ccccn1)c1ccc(C)cc1
InChIInChI=1S/C17H22N2/c1-3-17(15-9-7-14(2)8-10-15)19-13-11-16-6-4-5-12-18-16/h4-10,12,17,19H,3,11,13H2,1-2H3
InChIKeyPCWRTBWZSXOSJF-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.67
Rot. Bonds6

About 1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine

1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine (PubChem CID 43178454) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
PubChem CID43178454
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
SMILESCCC(NCCc1ccccn1)c1ccc(C)cc1
InChIInChI=1S/C17H22N2/c1-3-17(15-9-7-14(2)8-10-15)19-13-11-16-6-4-5-12-18-16/h4-10,12,17,19H,3,11,13H2,1-2H3
InChIKeyPCWRTBWZSXOSJF-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 43246213
1-phenyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105083650
1-(4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 80681237
2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
CID 29083030
1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105145212
1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111621510
1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62749243
N'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide
CID 77025730
N-[1-(4-methylphenyl)propyl]octan-1-amine
CID 43225299
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79104557
N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43078211

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine (CID 43178454) is 1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine is CCC(NCCc1ccccn1)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine?
The InChIKey is PCWRTBWZSXOSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-17(15-9-7-14(2)8-10-15)19-13-11-16-6-4-5-12-18-16/h4-10,12,17,19H,3,11,13H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine?
1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine is sourced from PubChem (CID 43178454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).