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

C15H21F2N — CID 116993044

IUPAC[1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine
SMILESCC(C)CC(F)(F)c1cccc(C2(CN)CC2)c1
InChIInChI=1S/C15H21F2N/c1-11(2)9-15(16,17)13-5-3-4-12(8-13)14(10-18)6-7-14/h3-5,8,11H,6-7,9-10,18H2,1-2H3
InChIKeyQAAUBBXGHGIDCB-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.81
Rot. Bonds5

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

[1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine (PubChem CID 116993044) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is [1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine
PubChem CID116993044
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name[1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine
SMILESCC(C)CC(F)(F)c1cccc(C2(CN)CC2)c1
InChIInChI=1S/C15H21F2N/c1-11(2)9-15(16,17)13-5-3-4-12(8-13)14(10-18)6-7-14/h3-5,8,11H,6-7,9-10,18H2,1-2H3
InChIKeyQAAUBBXGHGIDCB-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 116992722
[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117316856
[3-[3-(1,1-difluorobutyl)phenyl]oxetan-3-yl]methanamine
CID 116992958
[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 117316889
1-bromo-3-(1,1-difluoro-3-methylbutyl)benzene
CID 116993062
2-amino-1-[3-(1,1-difluoro-3-methylbutyl)phenyl]ethanol
CID 116993040
[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
[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

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine (CID 116993044) is [1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine is CC(C)CC(F)(F)c1cccc(C2(CN)CC2)c1.
What is the InChIKey of [1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine?
The InChIKey is QAAUBBXGHGIDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-11(2)9-15(16,17)13-5-3-4-12(8-13)14(10-18)6-7-14/h3-5,8,11H,6-7,9-10,18H2,1-2H3.
What are the key properties of [1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine?
[1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine has a molecular weight of 253.34 g/mol, XLogP of 3.81, 5 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-3-methylbutyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 116993044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).