N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine

C17H18FNO — CID 64855234

IUPACN-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCc1ccc(F)c(Oc2cccc(CNC3CC3)c2)c1
InChIInChI=1S/C17H18FNO/c1-12-5-8-16(18)17(9-12)20-15-4-2-3-13(10-15)11-19-14-6-7-14/h2-5,8-10,14,19H,6-7,11H2,1H3
InChIKeyOYCWBIAGNPISHJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.18
Rot. Bonds5

About N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine

N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 64855234) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
PubChem CID64855234
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCc1ccc(F)c(Oc2cccc(CNC3CC3)c2)c1
InChIInChI=1S/C17H18FNO/c1-12-5-8-16(18)17(9-12)20-15-4-2-3-13(10-15)11-19-14-6-7-14/h2-5,8-10,14,19H,6-7,11H2,1H3
InChIKeyOYCWBIAGNPISHJ-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 64856039
N-[[3-chloro-4-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 81151281
N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 63941329
N-[[3-(5-bromo-2,3-difluorophenoxy)phenyl]methyl]cyclopropanamine
CID 107100596
N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 54911691
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 43283686
N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine
CID 43283191
N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283027
N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81331912
N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine
CID 114855013

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine (CID 64855234) is N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine is Cc1ccc(F)c(Oc2cccc(CNC3CC3)c2)c1.
What is the InChIKey of N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is OYCWBIAGNPISHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-5-8-16(18)17(9-12)20-15-4-2-3-13(10-15)11-19-14-6-7-14/h2-5,8-10,14,19H,6-7,11H2,1H3.
What are the key properties of N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine?
N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 271.34 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 64855234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).