N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine

C17H17Cl2NO — CID 114319312

IUPACN-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESClc1cccc(COc2cccc(Cl)c2CNC2CC2)c1
InChIInChI=1S/C17H17Cl2NO/c18-13-4-1-3-12(9-13)11-21-17-6-2-5-16(19)15(17)10-20-14-7-8-14/h1-6,9,14,20H,7-8,10-11H2
InChIKeyGGLMGHKTERCCSQ-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.82
Rot. Bonds6

About N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine

N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 114319312) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID114319312
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC NameN-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESClc1cccc(COc2cccc(Cl)c2CNC2CC2)c1
InChIInChI=1S/C17H17Cl2NO/c18-13-4-1-3-12(9-13)11-21-17-6-2-5-16(19)15(17)10-20-14-7-8-14/h1-6,9,14,20H,7-8,10-11H2
InChIKeyGGLMGHKTERCCSQ-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-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496273
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
N-[[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319226
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294378
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
CID 114319278
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine
CID 63269312
5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 114319269
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 113276682

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine (CID 114319312) is N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine is Clc1cccc(COc2cccc(Cl)c2CNC2CC2)c1.
What is the InChIKey of N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is GGLMGHKTERCCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c18-13-4-1-3-12(9-13)11-21-17-6-2-5-16(19)15(17)10-20-14-7-8-14/h1-6,9,14,20H,7-8,10-11H2.
What are the key properties of N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-[(3-chlorophenyl)methoxy]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-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114319312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).