N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine

C17H22N2 — CID 105098484

IUPACN-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine
SMILESCCNC(CCc1ccc(C)cc1)c1cccnc1
InChIInChI=1S/C17H22N2/c1-3-19-17(16-5-4-12-18-13-16)11-10-15-8-6-14(2)7-9-15/h4-9,12-13,17,19H,3,10-11H2,1-2H3
InChIKeyFGTNORBVQDYHOR-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.67
Rot. Bonds6

About N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine

N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine (PubChem CID 105098484) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine
PubChem CID105098484
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine
SMILESCCNC(CCc1ccc(C)cc1)c1cccnc1
InChIInChI=1S/C17H22N2/c1-3-19-17(16-5-4-12-18-13-16)11-10-15-8-6-14(2)7-9-15/h4-9,12-13,17,19H,3,10-11H2,1-2H3
InChIKeyFGTNORBVQDYHOR-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

N-ethyl-1-(4-propylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105144433
N-ethyl-1-(5-fluoro-3-pyridinyl)-3-(4-methylphenyl)propan-1-amine
CID 105102454
1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105106501
N-ethyl-1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171233
1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105097119
1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105076952
1-(4-methylphenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105092564
N-ethyl-3-methoxy-1-pyridin-3-ylpropan-1-amine
CID 61412717
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine
CID 65445510
N-ethyl-1-(5-methyl-3-pyridinyl)-3-pyridin-4-ylpropan-1-amine
CID 105173949
N-ethyl-1-(4-methylphenyl)-2-pyridin-3-ylethanamine
CID 62551907
N-ethyl-2-(5-methyl-2-pyridinyl)-1-pyridin-3-ylethanamine
CID 66447908

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine?
The IUPAC name of N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine (CID 105098484) is N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine is CCNC(CCc1ccc(C)cc1)c1cccnc1.
What is the InChIKey of N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine?
The InChIKey is FGTNORBVQDYHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-19-17(16-5-4-12-18-13-16)11-10-15-8-6-14(2)7-9-15/h4-9,12-13,17,19H,3,10-11H2,1-2H3.
What are the key properties of N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine?
N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-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 N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 105098484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).