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

C17H17Cl2NO — CID 63496273

IUPACN-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESClc1ccc(OCc2cccc(CNC3CC3)c2)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO/c18-14-4-7-17(16(19)9-14)21-11-13-3-1-2-12(8-13)10-20-15-5-6-15/h1-4,7-9,15,20H,5-6,10-11H2
InChIKeyKJTZCNLOFKECLF-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.82
Rot. Bonds6

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

N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 63496273) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
PubChem CID63496273
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC NameN-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESClc1ccc(OCc2cccc(CNC3CC3)c2)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO/c18-14-4-7-17(16(19)9-14)21-11-13-3-1-2-12(8-13)10-20-15-5-6-15/h1-4,7-9,15,20H,5-6,10-11H2
InChIKeyKJTZCNLOFKECLF-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62673446
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 63941329
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
N-[[3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 64856039
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294378
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319312
N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496125
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17057050
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452280

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine (CID 63496273) is N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine is Clc1ccc(OCc2cccc(CNC3CC3)c2)c(Cl)c1.
What is the InChIKey of N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is KJTZCNLOFKECLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c18-14-4-7-17(16(19)9-14)21-11-13-3-1-2-12(8-13)10-20-15-5-6-15/h1-4,7-9,15,20H,5-6,10-11H2.
What are the key properties of N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 322.24 g/mol, XLogP of 4.82, 6 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)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63496273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).