1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine

C18H24N2 — CID 104737019

IUPAC1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
SMILESCCCNC(CCCc1cccnc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-2-13-20-18(17-10-4-3-5-11-17)12-6-8-16-9-7-14-19-15-16/h3-5,7,9-11,14-15,18,20H,2,6,8,12-13H2,1H3
InChIKeyGVXFPNVLHNISSE-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.15
Rot. Bonds8

About 1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine

1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine (PubChem CID 104737019) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
PubChem CID104737019
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
SMILESCCCNC(CCCc1cccnc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-2-13-20-18(17-10-4-3-5-11-17)12-6-8-16-9-7-14-19-15-16/h3-5,7,9-11,14-15,18,20H,2,6,8,12-13H2,1H3
InChIKeyGVXFPNVLHNISSE-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105092564
1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine
CID 105139865
4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
CID 64502036
3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 60896076
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine
CID 103913604
N-(1-phenylethyl)-5-pyridin-3-ylpentan-2-amine
CID 70358697
N-ethyl-1-(4-propylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105144433
1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride
CID 3027694
N-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine
CID 104736871
4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine
CID 79761932
1-(2-fluorophenyl)-4-phenyl-N-propylbutan-1-amine
CID 63417879

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine?
The IUPAC name of 1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine (CID 104737019) is 1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine.
What is the SMILES notation for 1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine?
The canonical SMILES for 1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine is CCCNC(CCCc1cccnc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine?
The InChIKey is GVXFPNVLHNISSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-13-20-18(17-10-4-3-5-11-17)12-6-8-16-9-7-14-19-15-16/h3-5,7,9-11,14-15,18,20H,2,6,8,12-13H2,1H3.
What are the key properties of 1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine?
1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine is sourced from PubChem (CID 104737019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).