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

C17H17Cl2NO — CID 63496125

IUPACN-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESClc1ccc(OCc2cccc(CNC3CC3)c2)cc1Cl
InChIInChI=1S/C17H17Cl2NO/c18-16-7-6-15(9-17(16)19)21-11-13-3-1-2-12(8-13)10-20-14-4-5-14/h1-3,6-9,14,20H,4-5,10-11H2
InChIKeyQJQNHJYSQSNOTD-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.82
Rot. Bonds6

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

N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 63496125) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
PubChem CID63496125
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC NameN-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESClc1ccc(OCc2cccc(CNC3CC3)c2)cc1Cl
InChIInChI=1S/C17H17Cl2NO/c18-16-7-6-15(9-17(16)19)21-11-13-3-1-2-12(8-13)10-20-14-4-5-14/h1-3,6-9,14,20H,4-5,10-11H2
InChIKeyQJQNHJYSQSNOTD-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-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62485051
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
N-[[3-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83233513
N-[[3-[(4-bromo-3-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83138179
N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496273
N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62673446
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151000
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17295058
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine (CID 63496125) is N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine is Clc1ccc(OCc2cccc(CNC3CC3)c2)cc1Cl.
What is the InChIKey of N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is QJQNHJYSQSNOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c18-16-7-6-15(9-17(16)19)21-11-13-3-1-2-12(8-13)10-20-14-4-5-14/h1-3,6-9,14,20H,4-5,10-11H2.
What are the key properties of N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
N-[[3-[(3,4-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-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63496125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).