1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine

C16H24FN — CID 113348787

IUPAC1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCC1(C(C)C)CC1
InChIInChI=1S/C16H24FN/c1-12(2)16(8-9-16)11-18-13(3)10-14-4-6-15(17)7-5-14/h4-7,12-13,18H,8-11H2,1-3H3
InChIKeyOSSKWLZMKSYYRT-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.78
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine

1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine (PubChem CID 113348787) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine
PubChem CID113348787
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCC1(C(C)C)CC1
InChIInChI=1S/C16H24FN/c1-12(2)16(8-9-16)11-18-13(3)10-14-4-6-15(17)7-5-14/h4-7,12-13,18H,8-11H2,1-3H3
InChIKeyOSSKWLZMKSYYRT-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 55152835
1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene
CID 177366781
2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071022
1-(4-fluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]propan-2-amine
CID 62995406
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine
CID 115712747
1-(5-fluoro-2-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
CID 103903261
N-[(1-propan-2-ylcyclopropyl)methyl]butan-2-amine
CID 103903233
1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717047
1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706199
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine (CID 113348787) is 1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine is CC(Cc1ccc(F)cc1)NCC1(C(C)C)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine?
The InChIKey is OSSKWLZMKSYYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-12(2)16(8-9-16)11-18-13(3)10-14-4-6-15(17)7-5-14/h4-7,12-13,18H,8-11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine?
1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine has a molecular weight of 249.37 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine is sourced from PubChem (CID 113348787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).