N-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine

C18H20ClNO — CID 65125367

IUPACN-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
SMILESClc1ccc(COCc2ccccc2CNC2CC2)cc1
InChIInChI=1S/C18H20ClNO/c19-17-7-5-14(6-8-17)12-21-13-16-4-2-1-3-15(16)11-20-18-9-10-18/h1-8,18,20H,9-13H2
InChIKeyAWWWQXUAVYNKFA-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.31
Rot. Bonds7

About N-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine

N-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine (PubChem CID 65125367) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
PubChem CID65125367
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
SMILESClc1ccc(COCc2ccccc2CNC2CC2)cc1
InChIInChI=1S/C18H20ClNO/c19-17-7-5-14(6-8-17)12-21-13-16-4-2-1-3-15(16)11-20-18-9-10-18/h1-8,18,20H,9-13H2
InChIKeyAWWWQXUAVYNKFA-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-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 65125603
N-[[3-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953820
N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
CID 62450085
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 79730790
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444645
N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine
CID 54861796
N-[[2-(2-pyridin-2-ylethoxymethyl)phenyl]methyl]cyclopropanamine
CID 62457043
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
CID 60635580
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723071

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine (CID 65125367) is N-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine is Clc1ccc(COCc2ccccc2CNC2CC2)cc1.
What is the InChIKey of N-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine?
The InChIKey is AWWWQXUAVYNKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c19-17-7-5-14(6-8-17)12-21-13-16-4-2-1-3-15(16)11-20-18-9-10-18/h1-8,18,20H,9-13H2.
What are the key properties of N-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine?
N-[[2-[(4-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-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 65125367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).