1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine

C18H23FN2 — CID 107130013

IUPAC1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine
SMILESCCCNC(CCc1ccncc1)c1ccc(C)c(F)c1
InChIInChI=1S/C18H23FN2/c1-3-10-21-18(7-5-15-8-11-20-12-9-15)16-6-4-14(2)17(19)13-16/h4,6,8-9,11-13,18,21H,3,5,7,10H2,1-2H3
InChIKeyRJQRVDYTWJMRDG-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.20
Rot. Bonds7

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

1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine (PubChem CID 107130013) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine
PubChem CID107130013
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine
SMILESCCCNC(CCc1ccncc1)c1ccc(C)c(F)c1
InChIInChI=1S/C18H23FN2/c1-3-10-21-18(7-5-15-8-11-20-12-9-15)16-6-4-14(2)17(19)13-16/h4,6,8-9,11-13,18,21H,3,5,7,10H2,1-2H3
InChIKeyRJQRVDYTWJMRDG-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
N-[(3-fluoro-4-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66270988
N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 60818536
1-(3-methylthiophen-2-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105166519
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105175318
1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 102840351
1-(4-methylphenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105092564
1-(furan-2-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105146972
1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 107130389
1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine
CID 107129130
N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078926

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine (CID 107130013) is 1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine is CCCNC(CCc1ccncc1)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine?
The InChIKey is RJQRVDYTWJMRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-3-10-21-18(7-5-15-8-11-20-12-9-15)16-6-4-14(2)17(19)13-16/h4,6,8-9,11-13,18,21H,3,5,7,10H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine?
1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine has a molecular weight of 286.39 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 107130013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).