2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile

C15H13ClN2O — CID 60880021

IUPAC2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile
SMILESN#Cc1ccccc1COc1ccc(Cl)cc1CN
InChIInChI=1S/C15H13ClN2O/c16-14-5-6-15(13(7-14)9-18)19-10-12-4-2-1-3-11(12)8-17/h1-7H,9-10,18H2
InChIKeyVVZNNFMYVDVXMK-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.25
Rot. Bonds4

About 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile

2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile (PubChem CID 60880021) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile
PubChem CID60880021
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile
SMILESN#Cc1ccccc1COc1ccc(Cl)cc1CN
InChIInChI=1S/C15H13ClN2O/c16-14-5-6-15(13(7-14)9-18)19-10-12-4-2-1-3-11(12)8-17/h1-7H,9-10,18H2
InChIKeyVVZNNFMYVDVXMK-UHFFFAOYSA-N
XLogP3.25
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-4-chlorophenoxy)methyl]benzonitrile
CID 24704666
2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107902675
2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile
CID 67658901
2-[[2-(2-aminoethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107906833
3-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
CID 8977260
2-[(3,5-dichlorophenoxy)methyl]benzonitrile
CID 22688290
5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile
CID 22661881
(2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616446
5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile
CID 150348416
[5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine
CID 104791271
[2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine
CID 63743324
3-chloro-4-[(2-cyanophenyl)methoxy]benzoic acid
CID 45286796

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile?
The IUPAC name of 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile (CID 60880021) is 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile.
What is the SMILES notation for 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile?
The canonical SMILES for 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile is N#Cc1ccccc1COc1ccc(Cl)cc1CN.
What is the InChIKey of 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile?
The InChIKey is VVZNNFMYVDVXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-14-5-6-15(13(7-14)9-18)19-10-12-4-2-1-3-11(12)8-17/h1-7H,9-10,18H2.
What are the key properties of 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile?
2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile has a molecular weight of 272.74 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile is sourced from PubChem (CID 60880021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).