N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine

C17H18ClNO — CID 62460631

IUPACN-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESClc1cccc(OCc2cccc(CNC3CC3)c2)c1
InChIInChI=1S/C17H18ClNO/c18-15-5-2-6-17(10-15)20-12-14-4-1-3-13(9-14)11-19-16-7-8-16/h1-6,9-10,16,19H,7-8,11-12H2
InChIKeyZTQBDTATWNJDSS-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.17
Rot. Bonds6

About N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine

N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62460631) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
PubChem CID62460631
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESClc1cccc(OCc2cccc(CNC3CC3)c2)c1
InChIInChI=1S/C17H18ClNO/c18-15-5-2-6-17(10-15)20-12-14-4-1-3-13(9-14)11-19-16-7-8-16/h1-6,9-10,16,19H,7-8,11-12H2
InChIKeyZTQBDTATWNJDSS-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-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496125
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 103046371
N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496273
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17295058
N-[[3-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83233513
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62459727
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253
N-[[3-[(4-bromo-3-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83138179
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294378

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine (CID 62460631) is N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine is Clc1cccc(OCc2cccc(CNC3CC3)c2)c1.
What is the InChIKey of N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is ZTQBDTATWNJDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-15-5-2-6-17(10-15)20-12-14-4-1-3-13(9-14)11-19-16-7-8-16/h1-6,9-10,16,19H,7-8,11-12H2.
What are the key properties of N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
N-[[3-[(3-chlorophenoxy)methyl]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-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62460631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).