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

C17H17Cl2NO — CID 107305713

IUPACN-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESClc1cccc(COc2ccc(CNC3CC3)cc2)c1Cl
InChIInChI=1S/C17H17Cl2NO/c18-16-3-1-2-13(17(16)19)11-21-15-8-4-12(5-9-15)10-20-14-6-7-14/h1-5,8-9,14,20H,6-7,10-11H2
InChIKeyYOMLLAHOWOBDPK-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.82
Rot. Bonds6

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

N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 107305713) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID107305713
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC NameN-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESClc1cccc(COc2ccc(CNC3CC3)cc2)c1Cl
InChIInChI=1S/C17H17Cl2NO/c18-16-3-1-2-13(17(16)19)11-21-15-8-4-12(5-9-15)10-20-14-6-7-14/h1-5,8-9,14,20H,6-7,10-11H2
InChIKeyYOMLLAHOWOBDPK-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-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 4715574
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107305705
N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39366709
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107305709
N-[[3-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953820
N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79783243
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496125

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine (CID 107305713) is N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine is Clc1cccc(COc2ccc(CNC3CC3)cc2)c1Cl.
What is the InChIKey of N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is YOMLLAHOWOBDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c18-16-3-1-2-13(17(16)19)11-21-15-8-4-12(5-9-15)10-20-14-6-7-14/h1-5,8-9,14,20H,6-7,10-11H2.
What are the key properties of N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[4-[(2,3-dichlorophenyl)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-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107305713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).