1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine

C17H22N2 — CID 66448538

IUPAC1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)c1ccncc1
InChIInChI=1S/C17H22N2/c1-3-11-19-17(16-7-5-4-6-8-16)14(2)15-9-12-18-13-10-15/h4-10,12-14,17,19H,3,11H2,1-2H3
InChIKeyIIYBBTWAGSDQBR-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.93
Rot. Bonds6

About 1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine

1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine (PubChem CID 66448538) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
PubChem CID66448538
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)c1ccncc1
InChIInChI=1S/C17H22N2/c1-3-11-19-17(16-7-5-4-6-8-16)14(2)15-9-12-18-13-10-15/h4-10,12-14,17,19H,3,11H2,1-2H3
InChIKeyIIYBBTWAGSDQBR-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446199
1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66447962
1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79213623
N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
CID 66447627
1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448152
N-methyl-1-phenyl-2-pyridin-4-ylpropan-1-amine
CID 66446573
1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79692893
1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446400
1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79975032
1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446198
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 61334577
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine (CID 66448538) is 1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine is CCCNC(c1ccccc1)C(C)c1ccncc1.
What is the InChIKey of 1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine?
The InChIKey is IIYBBTWAGSDQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-11-19-17(16-7-5-4-6-8-16)14(2)15-9-12-18-13-10-15/h4-10,12-14,17,19H,3,11H2,1-2H3.
What are the key properties of 1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine?
1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 66448538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).