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

C17H18ClNO — CID 4720086

IUPACN-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESClc1ccc(COc2ccc(CNC3CC3)cc2)cc1
InChIInChI=1S/C17H18ClNO/c18-15-5-1-14(2-6-15)12-20-17-9-3-13(4-10-17)11-19-16-7-8-16/h1-6,9-10,16,19H,7-8,11-12H2
InChIKeyYUXBOHQBOZRPMP-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.17
Rot. Bonds6

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

N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 4720086) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID4720086
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESClc1ccc(COc2ccc(CNC3CC3)cc2)cc1
InChIInChI=1S/C17H18ClNO/c18-15-5-1-14(2-6-15)12-20-17-9-3-13(4-10-17)11-19-16-7-8-16/h1-6,9-10,16,19H,7-8,11-12H2
InChIKeyYUXBOHQBOZRPMP-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-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83231219
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17295058
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 107305713
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17057050
N-[[3-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953820

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine (CID 4720086) is N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine is Clc1ccc(COc2ccc(CNC3CC3)cc2)cc1.
What is the InChIKey of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is YUXBOHQBOZRPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-15-5-1-14(2-6-15)12-20-17-9-3-13(4-10-17)11-19-16-7-8-16/h1-6,9-10,16,19H,7-8,11-12H2.
What are the key properties of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[4-[(4-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-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 4720086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).