1-cyclopropyl-1-(3,5-difluorophenyl)ethanamine

C11H13F2N — CID 82235880

IUPAC1-cyclopropyl-1-(3,5-difluorophenyl)ethanamine
SMILESCC(N)(c1cc(F)cc(F)c1)C1CC1
InChIInChI=1S/C11H13F2N/c1-11(14,7-2-3-7)8-4-9(12)6-10(13)5-8/h4-7H,2-3,14H2,1H3
InChIKeyOPMMXAQHSBIKPC-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.55
Rot. Bonds2

About 1-cyclopropyl-1-(3,5-difluorophenyl)ethanamine

1-cyclopropyl-1-(3,5-difluorophenyl)ethanamine (PubChem CID 82235880) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-cyclopropyl-1-(3,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(3,5-difluorophenyl)ethanamine
PubChem CID82235880
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name1-cyclopropyl-1-(3,5-difluorophenyl)ethanamine
SMILESCC(N)(c1cc(F)cc(F)c1)C1CC1
InChIInChI=1S/C11H13F2N/c1-11(14,7-2-3-7)8-4-9(12)6-10(13)5-8/h4-7H,2-3,14H2,1H3
InChIKeyOPMMXAQHSBIKPC-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Phenylcyclohexylamine
CID 31862
Pentorex
CID 22031
1-(4-Fluorophenyl)cyclohexan-1-amine
CID 24274287
1-(3-Fluorophenyl)cyclohexan-1-amine hydrochloride
CID 45259864
(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine hydrochloride
CID 118483877
1-Phenylcyclopropylamine
CID 194548
(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine hydrochloride
CID 118712956
3-Phenylpentan-3-amine hydrochloride
CID 45036910
Cumylamine
CID 68509
1-Phenylcyclopentylamine
CID 167651
1-Phenyl-cyclopropylamine
CID 194549
1-(4-Fluorophenyl)ethylamine
CID 123063

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(3,5-difluorophenyl)ethanamine?
The IUPAC name of 1-cyclopropyl-1-(3,5-difluorophenyl)ethanamine (CID 82235880) is 1-cyclopropyl-1-(3,5-difluorophenyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(3,5-difluorophenyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-1-(3,5-difluorophenyl)ethanamine is CC(N)(c1cc(F)cc(F)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(3,5-difluorophenyl)ethanamine?
The InChIKey is OPMMXAQHSBIKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-11(14,7-2-3-7)8-4-9(12)6-10(13)5-8/h4-7H,2-3,14H2,1H3.
What are the key properties of 1-cyclopropyl-1-(3,5-difluorophenyl)ethanamine?
1-cyclopropyl-1-(3,5-difluorophenyl)ethanamine has a molecular weight of 197.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(3,5-difluorophenyl)ethanamine is sourced from PubChem (CID 82235880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).