N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine

C16H24FN — CID 64570678

IUPACN-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H24FN/c1-11(2)12(3)10-18-16(13-4-5-13)14-6-8-15(17)9-7-14/h6-9,11-13,16,18H,4-5,10H2,1-3H3
InChIKeyHJVJKQLQTJPELP-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.16
Rot. Bonds6

About N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine

N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine (PubChem CID 64570678) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
PubChem CID64570678
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H24FN/c1-11(2)12(3)10-18-16(13-4-5-13)14-6-8-15(17)9-7-14/h6-9,11-13,16,18H,4-5,10H2,1-3H3
InChIKeyHJVJKQLQTJPELP-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570466
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
N-[cyclopropyl-(4-fluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43771413
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol
CID 107270462
N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 43767716
N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65412981
N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 43761828
N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62906192
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 43760606
N-[cyclopropyl-(4-fluorophenyl)methyl]but-3-yn-2-amine
CID 114414872
N-[3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propyl]methanesulfonamide
CID 103832837
N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 113350066

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine (CID 64570678) is N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine is CC(C)C(C)CNC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is HJVJKQLQTJPELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-11(2)12(3)10-18-16(13-4-5-13)14-6-8-15(17)9-7-14/h6-9,11-13,16,18H,4-5,10H2,1-3H3.
What are the key properties of N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine?
N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 64570678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).