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

C13H17F2N — CID 105483026

IUPAC1-[2-[5-(difluoromethyl)-2-methylphenyl]ethyl]cyclopropan-1-amine
SMILESCc1ccc(C(F)F)cc1CCC1(N)CC1
InChIInChI=1S/C13H17F2N/c1-9-2-3-11(12(14)15)8-10(9)4-5-13(16)6-7-13/h2-3,8,12H,4-7,16H2,1H3
InChIKeyBPTOWDLBWGVEQQ-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.36
Rot. Bonds4

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

1-[2-[5-(difluoromethyl)-2-methylphenyl]ethyl]cyclopropan-1-amine (PubChem CID 105483026) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-[2-[5-(difluoromethyl)-2-methylphenyl]ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-[5-(difluoromethyl)-2-methylphenyl]ethyl]cyclopropan-1-amine
PubChem CID105483026
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-[2-[5-(difluoromethyl)-2-methylphenyl]ethyl]cyclopropan-1-amine
SMILESCc1ccc(C(F)F)cc1CCC1(N)CC1
InChIInChI=1S/C13H17F2N/c1-9-2-3-11(12(14)15)8-10(9)4-5-13(16)6-7-13/h2-3,8,12H,4-7,16H2,1H3
InChIKeyBPTOWDLBWGVEQQ-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117292095
1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256942
1-[2-(5-fluoro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460910
[5-(difluoromethyl)-2-methylphenyl]methanol
CID 84654342
1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460909
1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine
CID 84774294
1-[2-(4-chloro-2,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105481535
1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine
CID 105464943
1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 83684647
1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105481536
4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol
CID 105484504
1-[2-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 115074223

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(difluoromethyl)-2-methylphenyl]ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-[5-(difluoromethyl)-2-methylphenyl]ethyl]cyclopropan-1-amine (CID 105483026) is 1-[2-[5-(difluoromethyl)-2-methylphenyl]ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-[5-(difluoromethyl)-2-methylphenyl]ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-[5-(difluoromethyl)-2-methylphenyl]ethyl]cyclopropan-1-amine is Cc1ccc(C(F)F)cc1CCC1(N)CC1.
What is the InChIKey of 1-[2-[5-(difluoromethyl)-2-methylphenyl]ethyl]cyclopropan-1-amine?
The InChIKey is BPTOWDLBWGVEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9-2-3-11(12(14)15)8-10(9)4-5-13(16)6-7-13/h2-3,8,12H,4-7,16H2,1H3.
What are the key properties of 1-[2-[5-(difluoromethyl)-2-methylphenyl]ethyl]cyclopropan-1-amine?
1-[2-[5-(difluoromethyl)-2-methylphenyl]ethyl]cyclopropan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(difluoromethyl)-2-methylphenyl]ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105483026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).