[1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine

C14H19F2N — CID 116992722

IUPAC[1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
SMILESCC(C)C(F)(F)c1cccc(C2(CN)CC2)c1
InChIInChI=1S/C14H19F2N/c1-10(2)14(15,16)12-5-3-4-11(8-12)13(9-17)6-7-13/h3-5,8,10H,6-7,9,17H2,1-2H3
InChIKeyYSWSHMQPXBIMES-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.42
Rot. Bonds4

About [1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine

[1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine (PubChem CID 116992722) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is [1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
PubChem CID116992722
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name[1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
SMILESCC(C)C(F)(F)c1cccc(C2(CN)CC2)c1
InChIInChI=1S/C14H19F2N/c1-10(2)14(15,16)12-5-3-4-11(8-12)13(9-17)6-7-13/h3-5,8,10H,6-7,9,17H2,1-2H3
InChIKeyYSWSHMQPXBIMES-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine
CID 116993044
[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117316856
[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 117316889
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]propan-1-amine
CID 116992645
[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 83412581
2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol
CID 117113422
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301
2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
CID 116992716
[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine
CID 117301607
[1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine
CID 117310036
[1-[3-[1-(aminomethyl)cyclopropyl]phenyl]cyclopropyl]methanol
CID 117112180
[3-[3-(1,1-difluorobutyl)phenyl]oxetan-3-yl]methanamine
CID 116992958

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine (CID 116992722) is [1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine is CC(C)C(F)(F)c1cccc(C2(CN)CC2)c1.
What is the InChIKey of [1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine?
The InChIKey is YSWSHMQPXBIMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10(2)14(15,16)12-5-3-4-11(8-12)13(9-17)6-7-13/h3-5,8,10H,6-7,9,17H2,1-2H3.
What are the key properties of [1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine?
[1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine has a molecular weight of 239.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 116992722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).