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

C17H17ClFNO — CID 62452280

IUPACN-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESFc1ccc(OCc2ccc(CNC3CC3)cc2)c(Cl)c1
InChIInChI=1S/C17H17ClFNO/c18-16-9-14(19)5-8-17(16)21-11-13-3-1-12(2-4-13)10-20-15-6-7-15/h1-5,8-9,15,20H,6-7,10-11H2
InChIKeyJYJACYLZWYDVCA-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.31
Rot. Bonds6

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

N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62452280) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
PubChem CID62452280
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC NameN-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESFc1ccc(OCc2ccc(CNC3CC3)cc2)c(Cl)c1
InChIInChI=1S/C17H17ClFNO/c18-16-9-14(19)5-8-17(16)21-11-13-3-1-12(2-4-13)10-20-15-6-7-15/h1-5,8-9,15,20H,6-7,10-11H2
InChIKeyJYJACYLZWYDVCA-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-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
N-[[5-[(2-chloro-4-fluorophenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107558290
N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62452095
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294375
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62459565
N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496273
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17057050
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62673446
N-[3-(2-chloro-4-fluorophenoxy)propyl]cyclopentanamine
CID 62598567
N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 102615167

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine (CID 62452280) is N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine is Fc1ccc(OCc2ccc(CNC3CC3)cc2)c(Cl)c1.
What is the InChIKey of N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is JYJACYLZWYDVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c18-16-9-14(19)5-8-17(16)21-11-13-3-1-12(2-4-13)10-20-15-6-7-15/h1-5,8-9,15,20H,6-7,10-11H2.
What are the key properties of N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
N-[[4-[(2-chloro-4-fluorophenoxy)methyl]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-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62452280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).