N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine

C17H17ClFNO — CID 103046371

IUPACN-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESFc1ccc(Cl)cc1COc1cccc(CNC2CC2)c1
InChIInChI=1S/C17H17ClFNO/c18-14-4-7-17(19)13(9-14)11-21-16-3-1-2-12(8-16)10-20-15-5-6-15/h1-4,7-9,15,20H,5-6,10-11H2
InChIKeyYZHRRFFQKLLHJN-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.31
Rot. Bonds6

About N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine

N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 103046371) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID103046371
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC NameN-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESFc1ccc(Cl)cc1COc1cccc(CNC2CC2)c1
InChIInChI=1S/C17H17ClFNO/c18-14-4-7-17(19)13(9-14)11-21-16-3-1-2-12(8-16)10-20-15-5-6-15/h1-4,7-9,15,20H,5-6,10-11H2
InChIKeyYZHRRFFQKLLHJN-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17295058
N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 103046450
N-[[4-fluoro-3-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 107457220
N-[[3-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83233513
N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 63941329
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62459565
1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457483
N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496125
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine (CID 103046371) is N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine is Fc1ccc(Cl)cc1COc1cccc(CNC2CC2)c1.
What is the InChIKey of N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is YZHRRFFQKLLHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c18-14-4-7-17(19)13(9-14)11-21-16-3-1-2-12(8-16)10-20-15-5-6-15/h1-4,7-9,15,20H,5-6,10-11H2.
What are the key properties of N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 305.78 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 103046371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).