1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine

C15H17FN2 — CID 113447308

IUPAC1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2ccncc2F)cc1
InChIInChI=1S/C15H17FN2/c1-3-15(17-2)12-6-4-11(5-7-12)13-8-9-18-10-14(13)16/h4-10,15,17H,3H2,1-2H3
InChIKeyCUGNRCHRWYCMEC-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.56
Rot. Bonds4

About 1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine

1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine (PubChem CID 113447308) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine
PubChem CID113447308
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2ccncc2F)cc1
InChIInChI=1S/C15H17FN2/c1-3-15(17-2)12-6-4-11(5-7-12)13-8-9-18-10-14(13)16/h4-10,15,17H,3H2,1-2H3
InChIKeyCUGNRCHRWYCMEC-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[4-(4-methyl-3-pyridinyl)phenyl]propan-1-amine
CID 66274011
1-[4-(3-fluoro-4-pyridinyl)phenyl]ethanamine
CID 104738782
3-fluoro-4-(4-fluorophenyl)pyridine
CID 46312739
1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine
CID 54912003
1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine
CID 63424700
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine
CID 113324609
N-methyl-1-[3-(4-methyl-3-pyridinyl)phenyl]propan-1-amine
CID 66271239
N-methyl-N',N'-dipropyl-1-(4-pyridin-3-ylphenyl)ethane-1,2-diamine
CID 142725832
1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine
CID 61033126
N-methyl-1-(3-pyridin-3-ylphenyl)propan-1-amine
CID 54911968
N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine
CID 104738829

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine (CID 113447308) is 1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccc(-c2ccncc2F)cc1.
What is the InChIKey of 1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine?
The InChIKey is CUGNRCHRWYCMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-3-15(17-2)12-6-4-11(5-7-12)13-8-9-18-10-14(13)16/h4-10,15,17H,3H2,1-2H3.
What are the key properties of 1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine?
1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine has a molecular weight of 244.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 113447308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).