N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine

C17H18ClNO — CID 39390007

IUPACN-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESClc1cccc(COc2ccc(CNC3CC3)cc2)c1
InChIInChI=1S/C17H18ClNO/c18-15-3-1-2-14(10-15)12-20-17-8-4-13(5-9-17)11-19-16-6-7-16/h1-5,8-10,16,19H,6-7,11-12H2
InChIKeyZVESUSCPILJHDF-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.17
Rot. Bonds6

About N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine

N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 39390007) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID39390007
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESClc1cccc(COc2ccc(CNC3CC3)cc2)c1
InChIInChI=1S/C17H18ClNO/c18-15-3-1-2-14(10-15)12-20-17-8-4-13(5-9-17)11-19-16-6-7-16/h1-5,8-10,16,19H,6-7,11-12H2
InChIKeyZVESUSCPILJHDF-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.17
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-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496125
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294378
N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319312
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 107305713
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496273
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine (CID 39390007) is N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine is Clc1cccc(COc2ccc(CNC3CC3)cc2)c1.
What is the InChIKey of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is ZVESUSCPILJHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-15-3-1-2-14(10-15)12-20-17-8-4-13(5-9-17)11-19-16-6-7-16/h1-5,8-10,16,19H,6-7,11-12H2.
What are the key properties of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 287.79 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 39390007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).