2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile

C16H16N2O — CID 43231857

IUPAC2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile
SMILESCOc1ccccc1CNc1ccc(CC#N)cc1
InChIInChI=1S/C16H16N2O/c1-19-16-5-3-2-4-14(16)12-18-15-8-6-13(7-9-15)10-11-17/h2-9,18H,10,12H2,1H3
InChIKeyWBWOMXCZCLAFGT-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.37
Rot. Bonds5

About 2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile

2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile (PubChem CID 43231857) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile
PubChem CID43231857
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile
SMILESCOc1ccccc1CNc1ccc(CC#N)cc1
InChIInChI=1S/C16H16N2O/c1-19-16-5-3-2-4-14(16)12-18-15-8-6-13(7-9-15)10-11-17/h2-9,18H,10,12H2,1H3
InChIKeyWBWOMXCZCLAFGT-UHFFFAOYSA-N
XLogP3.37
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyanomethyl)phenyl]-3-[(2-methoxyphenyl)methyl]thiourea
CID 100591068
N-[(2-methoxyphenyl)methyl]-4-propylaniline
CID 29045646
2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile
CID 43231833
N-[(2-methoxyphenyl)methyl]-4-pentylaniline
CID 28510048
2-[4-[(4-hydroxy-3-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 43722167
2-[4-[(3-chloro-4-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 65021363
2-[4-[(3,5-dibromo-2-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 43786400
2-(4-fluorophenyl)-N-[4-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982646
N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)aniline
CID 110452175
2-[2-[(3-chloro-4-methoxyanilino)methyl]phenoxy]acetonitrile
CID 43758083
azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
CID 87598174
2-[4-(1-benzothiophen-3-ylmethylamino)phenyl]acetonitrile
CID 60981341

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile (CID 43231857) is 2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile is COc1ccccc1CNc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile?
The InChIKey is WBWOMXCZCLAFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-19-16-5-3-2-4-14(16)12-18-15-8-6-13(7-9-15)10-11-17/h2-9,18H,10,12H2,1H3.
What are the key properties of 2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile?
2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile is sourced from PubChem (CID 43231857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).