1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine

C18H22FN — CID 114872694

IUPAC1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine
SMILESCCCc1ccc(C(N)(CC)c2cccc(F)c2)cc1
InChIInChI=1S/C18H22FN/c1-3-6-14-9-11-15(12-10-14)18(20,4-2)16-7-5-8-17(19)13-16/h5,7-13H,3-4,6,20H2,1-2H3
InChIKeyHFMICHBGXNGPTH-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.39
Rot. Bonds5

About 1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine

1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine (PubChem CID 114872694) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine
PubChem CID114872694
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine
SMILESCCCc1ccc(C(N)(CC)c2cccc(F)c2)cc1
InChIInChI=1S/C18H22FN/c1-3-6-14-9-11-15(12-10-14)18(20,4-2)16-7-5-8-17(19)13-16/h5,7-13H,3-4,6,20H2,1-2H3
InChIKeyHFMICHBGXNGPTH-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-1-(2-methylphenyl)propan-1-amine
CID 114872777
1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine
CID 114872809
1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine
CID 114872751
1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine
CID 173452747
1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872344
1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine
CID 114872623
1-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine
CID 106941629
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine
CID 114833794
2-(3-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 60798625
1-cyclopentyl-1-(3-fluorophenyl)propan-1-amine
CID 114872823
2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 62621068

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine (CID 114872694) is 1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine is CCCc1ccc(C(N)(CC)c2cccc(F)c2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine?
The InChIKey is HFMICHBGXNGPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-3-6-14-9-11-15(12-10-14)18(20,4-2)16-7-5-8-17(19)13-16/h5,7-13H,3-4,6,20H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine?
1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine is sourced from PubChem (CID 114872694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).