N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine

C17H17ClFNO — CID 43314070

IUPACN-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2ccc(F)cc2CNC2CC2)ccc1Cl
InChIInChI=1S/C17H17ClFNO/c1-11-8-15(5-6-16(11)18)21-17-7-2-13(19)9-12(17)10-20-14-3-4-14/h2,5-9,14,20H,3-4,10H2,1H3
InChIKeyIHXYIMQLCMQVEI-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.83
Rot. Bonds5

About N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine

N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine (PubChem CID 43314070) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
PubChem CID43314070
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC NameN-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2ccc(F)cc2CNC2CC2)ccc1Cl
InChIInChI=1S/C17H17ClFNO/c1-11-8-15(5-6-16(11)18)21-17-7-2-13(19)9-12(17)10-20-14-3-4-14/h2,5-9,14,20H,3-4,10H2,1H3
InChIKeyIHXYIMQLCMQVEI-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-[[4-bromo-2-(4-chloro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282343
N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283337
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314359
N-[[2-(2-bromo-4-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314299
N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105407336
2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 26189668
N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857647
N-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63551432
N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151000
4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102620151
N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151397
N-[[4-(4-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552049

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine (CID 43314070) is N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine is Cc1cc(Oc2ccc(F)cc2CNC2CC2)ccc1Cl.
What is the InChIKey of N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is IHXYIMQLCMQVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-11-8-15(5-6-16(11)18)21-17-7-2-13(19)9-12(17)10-20-14-3-4-14/h2,5-9,14,20H,3-4,10H2,1H3.
What are the key properties of N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]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-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43314070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).