4-[3-[cyclopropyl(difluoro)methyl]phenyl]butan-2-amine

C14H19F2N — CID 116992761

IUPAC4-[3-[cyclopropyl(difluoro)methyl]phenyl]butan-2-amine
SMILESCC(N)CCc1cccc(C(F)(F)C2CC2)c1
InChIInChI=1S/C14H19F2N/c1-10(17)5-6-11-3-2-4-13(9-11)14(15,16)12-7-8-12/h2-4,9-10,12H,5-8,17H2,1H3
InChIKeyVLXJPOVLIGJQNF-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.47
Rot. Bonds5

About 4-[3-[cyclopropyl(difluoro)methyl]phenyl]butan-2-amine

4-[3-[cyclopropyl(difluoro)methyl]phenyl]butan-2-amine (PubChem CID 116992761) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-[3-[cyclopropyl(difluoro)methyl]phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[3-[cyclopropyl(difluoro)methyl]phenyl]butan-2-amine
PubChem CID116992761
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-[3-[cyclopropyl(difluoro)methyl]phenyl]butan-2-amine
SMILESCC(N)CCc1cccc(C(F)(F)C2CC2)c1
InChIInChI=1S/C14H19F2N/c1-10(17)5-6-11-3-2-4-13(9-11)14(15,16)12-7-8-12/h2-4,9-10,12H,5-8,17H2,1H3
InChIKeyVLXJPOVLIGJQNF-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine
CID 83856289
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
2-[3-[cyclopropyl(difluoro)methyl]phenyl]acetic acid
CID 116992787
N-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl]cyclopropanamine
CID 116992767
4-(3-cyclopropyloxyphenyl)butan-2-amine
CID 114522923
(2S)-4-phenylbutan-2-amine
CID 6994564
3-[cyclopropyl(difluoro)methyl]aniline
CID 83855657
(2S)-4-(3-bromophenyl)butan-2-amine
CID 93264333
(2S)-4-[3-tert-butyl-5-(trifluoromethyl)phenyl]butan-2-amine
CID 90210058
1-(4-chloro-3-methylbutyl)-3-(trifluoromethyl)benzene
CID 64665255
1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 55201481
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485

Frequently Asked Questions

What is the IUPAC name of 4-[3-[cyclopropyl(difluoro)methyl]phenyl]butan-2-amine?
The IUPAC name of 4-[3-[cyclopropyl(difluoro)methyl]phenyl]butan-2-amine (CID 116992761) is 4-[3-[cyclopropyl(difluoro)methyl]phenyl]butan-2-amine.
What is the SMILES notation for 4-[3-[cyclopropyl(difluoro)methyl]phenyl]butan-2-amine?
The canonical SMILES for 4-[3-[cyclopropyl(difluoro)methyl]phenyl]butan-2-amine is CC(N)CCc1cccc(C(F)(F)C2CC2)c1.
What is the InChIKey of 4-[3-[cyclopropyl(difluoro)methyl]phenyl]butan-2-amine?
The InChIKey is VLXJPOVLIGJQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10(17)5-6-11-3-2-4-13(9-11)14(15,16)12-7-8-12/h2-4,9-10,12H,5-8,17H2,1H3.
What are the key properties of 4-[3-[cyclopropyl(difluoro)methyl]phenyl]butan-2-amine?
4-[3-[cyclopropyl(difluoro)methyl]phenyl]butan-2-amine has a molecular weight of 239.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[cyclopropyl(difluoro)methyl]phenyl]butan-2-amine is sourced from PubChem (CID 116992761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).