N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine

C14H19F2NO2 — CID 82005990

IUPACN-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine
SMILESCOc1ccc(C(CNC2CC2)OCC(F)F)cc1
InChIInChI=1S/C14H19F2NO2/c1-18-12-6-2-10(3-7-12)13(19-9-14(15)16)8-17-11-4-5-11/h2-3,6-7,11,13-14,17H,4-5,8-9H2,1H3
InChIKeyUKGWTOUAZVIBCN-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.77
Rot. Bonds8

About N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine

N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine (PubChem CID 82005990) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine
PubChem CID82005990
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC NameN-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine
SMILESCOc1ccc(C(CNC2CC2)OCC(F)F)cc1
InChIInChI=1S/C14H19F2NO2/c1-18-12-6-2-10(3-7-12)13(19-9-14(15)16)8-17-11-4-5-11/h2-3,6-7,11,13-14,17H,4-5,8-9H2,1H3
InChIKeyUKGWTOUAZVIBCN-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
CID 62108597
N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine
CID 82006736
N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine
CID 62111242
N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105975
N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine
CID 62106947
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
CID 62107517
N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine
CID 62106930
2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60760718
1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol
CID 71941895
N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine
CID 62111220
N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 62070325

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine (CID 82005990) is N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine is COc1ccc(C(CNC2CC2)OCC(F)F)cc1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine?
The InChIKey is UKGWTOUAZVIBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-18-12-6-2-10(3-7-12)13(19-9-14(15)16)8-17-11-4-5-11/h2-3,6-7,11,13-14,17H,4-5,8-9H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine?
N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine has a molecular weight of 271.31 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 82005990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).