2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile

C15H12Cl2N2 — CID 43231843

IUPAC2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile
SMILESN#CCc1ccc(NCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H12Cl2N2/c16-14-2-1-3-15(17)13(14)10-19-12-6-4-11(5-7-12)8-9-18/h1-7,19H,8,10H2
InChIKeySZRWGQMECLOZTH-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.67
Rot. Bonds4

About 2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile

2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile (PubChem CID 43231843) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile
PubChem CID43231843
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile
SMILESN#CCc1ccc(NCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H12Cl2N2/c16-14-2-1-3-15(17)13(14)10-19-12-6-4-11(5-7-12)8-9-18/h1-7,19H,8,10H2
InChIKeySZRWGQMECLOZTH-UHFFFAOYSA-N
XLogP4.67
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(cyanomethylamino)phenyl]acetonitrile
CID 60720877
N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline
CID 28878736
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile
CID 28888239
2-[4-[(3-chloro-4-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 65021363
2-[4-[(2-chloro-6-hydroxyphenyl)methylamino]phenoxy]acetonitrile
CID 78964633
2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile
CID 43231833
2-[4-(ethylamino)phenyl]acetonitrile
CID 43229025
2-[4-[(4-chloro-2-methylphenyl)methylamino]phenyl]acetonitrile
CID 104854012
2-[4-[4-(cyanomethyl)anilino]phenyl]acetonitrile
CID 170886404
2-[4-[[3-(cyanomethoxy)phenyl]methylamino]phenyl]acetonitrile
CID 43786394
2-[4-[3-chloro-2-(chloromethyl)phenoxy]phenyl]acetonitrile
CID 28947069
2-[4-[3-chloro-2-(hydroxymethyl)phenoxy]phenyl]acetonitrile
CID 28946031

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile (CID 43231843) is 2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile is N#CCc1ccc(NCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile?
The InChIKey is SZRWGQMECLOZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c16-14-2-1-3-15(17)13(14)10-19-12-6-4-11(5-7-12)8-9-18/h1-7,19H,8,10H2.
What are the key properties of 2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile?
2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile has a molecular weight of 291.18 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile is sourced from PubChem (CID 43231843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).