N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine

C17H17ClFNO — CID 114857647

IUPACN-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cc(F)ccc1Oc1cc(Cl)ccc1CNC1CC1
InChIInChI=1S/C17H17ClFNO/c1-11-8-14(19)4-7-16(11)21-17-9-13(18)3-2-12(17)10-20-15-5-6-15/h2-4,7-9,15,20H,5-6,10H2,1H3
InChIKeyGUGVPEXFIXCOKI-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.83
Rot. Bonds5

About N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine

N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 114857647) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine
PubChem CID114857647
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC NameN-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cc(F)ccc1Oc1cc(Cl)ccc1CNC1CC1
InChIInChI=1S/C17H17ClFNO/c1-11-8-14(19)4-7-16(11)21-17-9-13(18)3-2-12(17)10-20-15-5-6-15/h2-4,7-9,15,20H,5-6,10H2,1H3
InChIKeyGUGVPEXFIXCOKI-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857170
N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114855307
N-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283271
5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline
CID 114850424
N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314070
N-[[4-chloro-2-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114856520
N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 106879368
N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine
CID 114855205
N-[[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 114674394
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314359
N-[[2-(2-bromo-4-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314299
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323781

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine (CID 114857647) is N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine is Cc1cc(F)ccc1Oc1cc(Cl)ccc1CNC1CC1.
What is the InChIKey of N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is GUGVPEXFIXCOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-11-8-14(19)4-7-16(11)21-17-9-13(18)3-2-12(17)10-20-15-5-6-15/h2-4,7-9,15,20H,5-6,10H2,1H3.
What are the key properties of N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine?
N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 305.78 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114857647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).