N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine

C17H18FNO — CID 62459565

IUPACN-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESFc1cccc(OCc2ccc(CNC3CC3)cc2)c1
InChIInChI=1S/C17H18FNO/c18-15-2-1-3-17(10-15)20-12-14-6-4-13(5-7-14)11-19-16-8-9-16/h1-7,10,16,19H,8-9,11-12H2
InChIKeyIGMCBFZKANLZGV-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.66
Rot. Bonds6

About N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine

N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62459565) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
PubChem CID62459565
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESFc1cccc(OCc2ccc(CNC3CC3)cc2)c1
InChIInChI=1S/C17H18FNO/c18-15-2-1-3-17(10-15)20-12-14-6-4-13(5-7-14)11-19-16-8-9-16/h1-7,10,16,19H,8-9,11-12H2
InChIKeyIGMCBFZKANLZGV-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-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83231219
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine
CID 175567978
N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine
CID 29015732
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072
N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452280
N-[[4-[(3-fluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80729191
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17295058

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine (CID 62459565) is N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine is Fc1cccc(OCc2ccc(CNC3CC3)cc2)c1.
What is the InChIKey of N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is IGMCBFZKANLZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c18-15-2-1-3-17(10-15)20-12-14-6-4-13(5-7-14)11-19-16-8-9-16/h1-7,10,16,19H,8-9,11-12H2.
What are the key properties of N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
N-[[4-[(3-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-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62459565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).