N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine

C17H17ClFNO — CID 105407336

IUPACN-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
SMILESCc1ccc(CNC2CC2)cc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H17ClFNO/c1-11-2-3-12(10-20-13-4-5-13)8-17(11)21-14-6-7-16(19)15(18)9-14/h2-3,6-9,13,20H,4-5,10H2,1H3
InChIKeyVHZXYJRGCYFESF-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.83
Rot. Bonds5

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

N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine (PubChem CID 105407336) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
PubChem CID105407336
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC NameN-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
SMILESCc1ccc(CNC2CC2)cc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H17ClFNO/c1-11-2-3-12(10-20-13-4-5-13)8-17(11)21-14-6-7-16(19)15(18)9-14/h2-3,6-9,13,20H,4-5,10H2,1H3
InChIKeyVHZXYJRGCYFESF-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151397
N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406574
N-[[4-methyl-3-(4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 105406496
[4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol
CID 105407183
N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283027
N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151000
N-[[3-chloro-4-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 81151281
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 63476637
N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283164
N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314070
N-[[4-(3-chloro-4-fluorophenoxy)-3-methylphenyl]methyl]propan-1-amine
CID 63877804
N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406552

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine (CID 105407336) is N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine is Cc1ccc(CNC2CC2)cc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine?
The InChIKey is VHZXYJRGCYFESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-11-2-3-12(10-20-13-4-5-13)8-17(11)21-14-6-7-16(19)15(18)9-14/h2-3,6-9,13,20H,4-5,10H2,1H3.
What are the key properties of N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine?
N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine has a molecular weight of 305.78 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 105407336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).