1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine

C11H13F2N — CID 84774294

IUPAC1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine
SMILESCc1ccc(C(F)F)cc1C1(N)CC1
InChIInChI=1S/C11H13F2N/c1-7-2-3-8(10(12)13)6-9(7)11(14)4-5-11/h2-3,6,10H,4-5,14H2,1H3
InChIKeySGTITNHDAHVQHP-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.88
Rot. Bonds2

About 1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine

1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine (PubChem CID 84774294) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine
PubChem CID84774294
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine
SMILESCc1ccc(C(F)F)cc1C1(N)CC1
InChIInChI=1S/C11H13F2N/c1-7-2-3-8(10(12)13)6-9(7)11(14)4-5-11/h2-3,6,10H,4-5,14H2,1H3
InChIKeySGTITNHDAHVQHP-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol
CID 117284693
1-[2-[5-(difluoromethyl)-2-methylphenyl]ethyl]cyclopropan-1-amine
CID 105483026
1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine
CID 55187341
1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine
CID 84768959
1-(5-fluoro-2-methylphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80692665
4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride
CID 131637935
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclopentan-1-amine
CID 117347443
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine
CID 117320262
1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)cyclopropan-1-amine
CID 84786994
1-(5-ethyl-2-methylphenyl)cyclobutan-1-amine
CID 117281654
1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine
CID 117366356
5-(1-fluoroethyl)-2-methylaniline
CID 84649805

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine?
The IUPAC name of 1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine (CID 84774294) is 1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine is Cc1ccc(C(F)F)cc1C1(N)CC1.
What is the InChIKey of 1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine?
The InChIKey is SGTITNHDAHVQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-7-2-3-8(10(12)13)6-9(7)11(14)4-5-11/h2-3,6,10H,4-5,14H2,1H3.
What are the key properties of 1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine?
1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine has a molecular weight of 197.23 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine is sourced from PubChem (CID 84774294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).