N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine

C18H20ClNO — CID 65125309

IUPACN-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
SMILESClc1cccc(COCc2cccc(CNC3CC3)c2)c1
InChIInChI=1S/C18H20ClNO/c19-17-6-2-5-16(10-17)13-21-12-15-4-1-3-14(9-15)11-20-18-7-8-18/h1-6,9-10,18,20H,7-8,11-13H2
InChIKeyZZBVBQPGBSEIOG-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.31
Rot. Bonds7

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

N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine (PubChem CID 65125309) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
PubChem CID65125309
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
SMILESClc1cccc(COCc2cccc(CNC3CC3)c2)c1
InChIInChI=1S/C18H20ClNO/c19-17-6-2-5-16(10-17)13-21-12-15-4-1-3-14(9-15)11-20-18-7-8-18/h1-6,9-10,18,20H,7-8,11-13H2
InChIKeyZZBVBQPGBSEIOG-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.31
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-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496273
N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine
CID 62442455
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294378
N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine
CID 65125325
N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine
CID 62456252
N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319312
4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine
CID 65089981
N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496125
N-[[1-[2-[(3-chlorophenyl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 65125840

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine (CID 65125309) is N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine is Clc1cccc(COCc2cccc(CNC3CC3)c2)c1.
What is the InChIKey of N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine?
The InChIKey is ZZBVBQPGBSEIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c19-17-6-2-5-16(10-17)13-21-12-15-4-1-3-14(9-15)11-20-18-7-8-18/h1-6,9-10,18,20H,7-8,11-13H2.
What are the key properties of N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine?
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine has a molecular weight of 301.82 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 65125309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).