1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine

C16H19FN2 — CID 103905623

IUPAC1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine
SMILESCc1cncc(CNC(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H19FN2/c1-12-7-15(10-18-9-12)11-19-13(2)8-14-3-5-16(17)6-4-14/h3-7,9-10,13,19H,8,11H2,1-2H3
InChIKeyJYPDLRUVDRKTLG-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.25
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine

1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine (PubChem CID 103905623) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine
PubChem CID103905623
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine
SMILESCc1cncc(CNC(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H19FN2/c1-12-7-15(10-18-9-12)11-19-13(2)8-14-3-5-16(17)6-4-14/h3-7,9-10,13,19H,8,11H2,1-2H3
InChIKeyJYPDLRUVDRKTLG-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880962
(2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 167984285
1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 115600103
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 61067726
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 81436061
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 106862630
4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline
CID 60956705
N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956826
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 79578576
ethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine
CID 145472925

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine (CID 103905623) is 1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine is Cc1cncc(CNC(C)Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is JYPDLRUVDRKTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-12-7-15(10-18-9-12)11-19-13(2)8-14-3-5-16(17)6-4-14/h3-7,9-10,13,19H,8,11H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine?
1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 258.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 103905623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).