N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine

C16H15Cl2NO — CID 63941329

IUPACN-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
SMILESClc1ccc(Oc2cccc(CNC3CC3)c2)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c17-12-4-7-16(15(18)9-12)20-14-3-1-2-11(8-14)10-19-13-5-6-13/h1-4,7-9,13,19H,5-6,10H2
InChIKeyDRONQQQBDDHILB-UHFFFAOYSA-N
MW308.21 g/mol
LogP5.04
Rot. Bonds5

About N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine

N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 63941329) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
PubChem CID63941329
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC NameN-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
SMILESClc1ccc(Oc2cccc(CNC3CC3)c2)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c17-12-4-7-16(15(18)9-12)20-14-3-1-2-11(8-14)10-19-13-5-6-13/h1-4,7-9,13,19H,5-6,10H2
InChIKeyDRONQQQBDDHILB-UHFFFAOYSA-N
XLogP5.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.21
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496273
[3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol
CID 114856939
N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine
CID 114855013
N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151397
N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 64855234
N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151000
N-[[4-(4-bromophenoxy)-3-chlorophenyl]methyl]cyclopropanamine
CID 81155198
N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 103046371
N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533350
N-[[3-(5-bromo-2,3-difluorophenoxy)phenyl]methyl]cyclopropanamine
CID 107100596
5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol
CID 71733465
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine (CID 63941329) is N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine is Clc1ccc(Oc2cccc(CNC3CC3)c2)c(Cl)c1.
What is the InChIKey of N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is DRONQQQBDDHILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c17-12-4-7-16(15(18)9-12)20-14-3-1-2-11(8-14)10-19-13-5-6-13/h1-4,7-9,13,19H,5-6,10H2.
What are the key properties of N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine?
N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 308.21 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63941329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).