1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine

C14H19F2N — CID 115714661

IUPAC1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine
SMILESCC(CC1CCC1)NCc1ccc(F)cc1F
InChIInChI=1S/C14H19F2N/c1-10(7-11-3-2-4-11)17-9-12-5-6-13(15)8-14(12)16/h5-6,8,10-11,17H,2-4,7,9H2,1H3
InChIKeyHPBQGDDXSGEQAN-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.63
Rot. Bonds5

About 1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine

1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine (PubChem CID 115714661) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine
PubChem CID115714661
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine
SMILESCC(CC1CCC1)NCc1ccc(F)cc1F
InChIInChI=1S/C14H19F2N/c1-10(7-11-3-2-4-11)17-9-12-5-6-13(15)8-14(12)16/h5-6,8,10-11,17H,2-4,7,9H2,1H3
InChIKeyHPBQGDDXSGEQAN-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 79560149
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
1-cyclobutyl-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 115712467
N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 115762374
N-[(2,4-difluorophenyl)methyl]pentan-2-amine
CID 43177713
2-[(1-cyclopropylpropan-2-ylamino)methyl]-4-fluorobenzonitrile
CID 107904345
N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091712
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 63987847
[1-cyclobutyl-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105223148
1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene
CID 103166568
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 64560428
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine (CID 115714661) is 1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine is CC(CC1CCC1)NCc1ccc(F)cc1F.
What is the InChIKey of 1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine?
The InChIKey is HPBQGDDXSGEQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10(7-11-3-2-4-11)17-9-12-5-6-13(15)8-14(12)16/h5-6,8,10-11,17H,2-4,7,9H2,1H3.
What are the key properties of 1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine?
1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine has a molecular weight of 239.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 115714661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).