1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine

C17H22N2 — CID 43310046

IUPAC1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCCc1ccc(C(CC)NCc2ccncc2)cc1
InChIInChI=1S/C17H22N2/c1-3-14-5-7-16(8-6-14)17(4-2)19-13-15-9-11-18-12-10-15/h5-12,17,19H,3-4,13H2,1-2H3
InChIKeyPMIANGVYZCGEIP-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.88
Rot. Bonds6

About 1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine

1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine (PubChem CID 43310046) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
PubChem CID43310046
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCCc1ccc(C(CC)NCc2ccncc2)cc1
InChIInChI=1S/C17H22N2/c1-3-14-5-7-16(8-6-14)17(4-2)19-13-15-9-11-18-12-10-15/h5-12,17,19H,3-4,13H2,1-2H3
InChIKeyPMIANGVYZCGEIP-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400
1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43204862
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405582
N-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine
CID 146145822
1-(4-ethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 60858171
1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride
CID 17155648
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 63454016
N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 60709706
1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 60913064
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 43194840
ethane;4-ethylpyridine
CID 142005045

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine (CID 43310046) is 1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine is CCc1ccc(C(CC)NCc2ccncc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine?
The InChIKey is PMIANGVYZCGEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-14-5-7-16(8-6-14)17(4-2)19-13-15-9-11-18-12-10-15/h5-12,17,19H,3-4,13H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine?
1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 43310046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).