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

C16H14Cl2FNO — CID 81151397

IUPACN-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine
SMILESFc1ccc(Oc2ccc(CNC3CC3)cc2Cl)cc1Cl
InChIInChI=1S/C16H14Cl2FNO/c17-13-8-12(4-5-15(13)19)21-16-6-1-10(7-14(16)18)9-20-11-2-3-11/h1,4-8,11,20H,2-3,9H2
InChIKeyJVZXYHAPDJULLB-UHFFFAOYSA-N
MW326.20 g/mol
LogP5.18
Rot. Bonds5

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

N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 81151397) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine
PubChem CID81151397
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC NameN-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine
SMILESFc1ccc(Oc2ccc(CNC3CC3)cc2Cl)cc1Cl
InChIInChI=1S/C16H14Cl2FNO/c17-13-8-12(4-5-15(13)19)21-16-6-1-10(7-14(16)18)9-20-11-2-3-11/h1,4-8,11,20H,2-3,9H2
InChIKeyJVZXYHAPDJULLB-UHFFFAOYSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.20
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151000
N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105407336
N-[[4-(4-bromophenoxy)-3-chlorophenyl]methyl]cyclopropanamine
CID 81155198
N-[[3-chloro-4-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 81151281
N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 63941329
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-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 81144619
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 64601004
4-[(3-chloro-4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81155541
N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine
CID 43283191

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine (CID 81151397) is N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine is Fc1ccc(Oc2ccc(CNC3CC3)cc2Cl)cc1Cl.
What is the InChIKey of N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is JVZXYHAPDJULLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c17-13-8-12(4-5-15(13)19)21-16-6-1-10(7-14(16)18)9-20-11-2-3-11/h1,4-8,11,20H,2-3,9H2.
What are the key properties of N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine?
N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 326.20 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 81151397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).