N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine

C17H22N2 — CID 105094779

IUPACN-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
SMILESCCNC(CCc1ccncc1)c1ccccc1C
InChIInChI=1S/C17H22N2/c1-3-19-17(16-7-5-4-6-14(16)2)9-8-15-10-12-18-13-11-15/h4-7,10-13,17,19H,3,8-9H2,1-2H3
InChIKeyOPSPRNLXARPACZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.67
Rot. Bonds6

About N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine

N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine (PubChem CID 105094779) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
PubChem CID105094779
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
SMILESCCNC(CCc1ccncc1)c1ccccc1C
InChIInChI=1S/C17H22N2/c1-3-19-17(16-7-5-4-6-14(16)2)9-8-15-10-12-18-13-11-15/h4-7,10-13,17,19H,3,8-9H2,1-2H3
InChIKeyOPSPRNLXARPACZ-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-3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-amine
CID 65444570
N-ethyl-1-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105115672
N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105164345
1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941173
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 43490830
N-ethyl-1-(2-methoxy-3-pyridinyl)-3-phenylpropan-1-amine
CID 105094165
[1-(2,3-dimethylphenyl)-3-pyridin-4-ylpropyl]hydrazine
CID 105300607
N-ethyl-1-(5-methyl-3-pyridinyl)-3-pyridin-4-ylpropan-1-amine
CID 105173949
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 106883837
N-methyl-1-(4-methyl-3-pyridinyl)-3-pyridin-4-ylpropan-1-amine
CID 105164185
N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002194
[1-(4-methyl-3-pyridinyl)-3-pyridin-4-ylpropyl]hydrazine
CID 105320620

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine (CID 105094779) is N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine is CCNC(CCc1ccncc1)c1ccccc1C.
What is the InChIKey of N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine?
The InChIKey is OPSPRNLXARPACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-19-17(16-7-5-4-6-14(16)2)9-8-15-10-12-18-13-11-15/h4-7,10-13,17,19H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine?
N-ethyl-1-(2-methylphenyl)-3-pyridin-4-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-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 105094779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).