2-[(3,4-difluorophenoxy)methyl]cyclopropan-1-amine

C10H11F2NO — CID 112547463

IUPAC2-[(3,4-difluorophenoxy)methyl]cyclopropan-1-amine
SMILESNC1CC1COc1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO/c11-8-2-1-7(4-9(8)12)14-5-6-3-10(6)13/h1-2,4,6,10H,3,5,13H2
InChIKeyCRDHCPDOLLMGIE-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.69
Rot. Bonds3

About 2-[(3,4-difluorophenoxy)methyl]cyclopropan-1-amine

2-[(3,4-difluorophenoxy)methyl]cyclopropan-1-amine (PubChem CID 112547463) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 2-[(3,4-difluorophenoxy)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-[(3,4-difluorophenoxy)methyl]cyclopropan-1-amine
PubChem CID112547463
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name2-[(3,4-difluorophenoxy)methyl]cyclopropan-1-amine
SMILESNC1CC1COc1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO/c11-8-2-1-7(4-9(8)12)14-5-6-3-10(6)13/h1-2,4,6,10H,3,5,13H2
InChIKeyCRDHCPDOLLMGIE-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenoxyethanamine
CID 15651
1-Phenoxy-2-propanamine
CID 37087
(3-Phenoxypropyl)amine
CID 418237
3-(4-Fluorophenoxy)propan-1-amine
CID 14025825
(E)-3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 13958757
(E)-3-fluoro-4-phenoxybut-2-en-1-amine
CID 42624010
(E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine
CID 42624093
3-Fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 54223245
3-Fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine
CID 54233584
4-(4-Fluorophenoxy)butan-1-amine
CID 7131478
4-Phenoxybutan-1-amine
CID 116240
N-tert-butyl-4-(2-fluorophenoxy)-1-butanamine
CID 2247152

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenoxy)methyl]cyclopropan-1-amine?
The IUPAC name of 2-[(3,4-difluorophenoxy)methyl]cyclopropan-1-amine (CID 112547463) is 2-[(3,4-difluorophenoxy)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2-[(3,4-difluorophenoxy)methyl]cyclopropan-1-amine?
The canonical SMILES for 2-[(3,4-difluorophenoxy)methyl]cyclopropan-1-amine is NC1CC1COc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenoxy)methyl]cyclopropan-1-amine?
The InChIKey is CRDHCPDOLLMGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-8-2-1-7(4-9(8)12)14-5-6-3-10(6)13/h1-2,4,6,10H,3,5,13H2.
What are the key properties of 2-[(3,4-difluorophenoxy)methyl]cyclopropan-1-amine?
2-[(3,4-difluorophenoxy)methyl]cyclopropan-1-amine has a molecular weight of 199.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenoxy)methyl]cyclopropan-1-amine is sourced from PubChem (CID 112547463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).