N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine

C17H18FNO — CID 62454139

IUPACN-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESFc1ccc(OCc2ccc(CNC3CC3)cc2)cc1
InChIInChI=1S/C17H18FNO/c18-15-5-9-17(10-6-15)20-12-14-3-1-13(2-4-14)11-19-16-7-8-16/h1-6,9-10,16,19H,7-8,11-12H2
InChIKeyAHFHTWRTULLTQZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.66
Rot. Bonds6

About N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine

N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62454139) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
PubChem CID62454139
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESFc1ccc(OCc2ccc(CNC3CC3)cc2)cc1
InChIInChI=1S/C17H18FNO/c18-15-5-9-17(10-6-15)20-12-14-3-1-13(2-4-14)11-19-16-7-8-16/h1-6,9-10,16,19H,7-8,11-12H2
InChIKeyAHFHTWRTULLTQZ-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62459565
N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83231219
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452280
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65081377
N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine
CID 175567978

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine (CID 62454139) is N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine is Fc1ccc(OCc2ccc(CNC3CC3)cc2)cc1.
What is the InChIKey of N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is AHFHTWRTULLTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c18-15-5-9-17(10-6-15)20-12-14-3-1-13(2-4-14)11-19-16-7-8-16/h1-6,9-10,16,19H,7-8,11-12H2.
What are the key properties of N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 271.34 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62454139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).