2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile

C12H15ClN2 — CID 62047660

IUPAC2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile
SMILESCC(C)N(CC#N)Cc1ccccc1Cl
InChIInChI=1S/C12H15ClN2/c1-10(2)15(8-7-14)9-11-5-3-4-6-12(11)13/h3-6,10H,8-9H2,1-2H3
InChIKeyFJEYMEDTOCYZQZ-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.07
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile

2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile (PubChem CID 62047660) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile
PubChem CID62047660
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile
SMILESCC(C)N(CC#N)Cc1ccccc1Cl
InChIInChI=1S/C12H15ClN2/c1-10(2)15(8-7-14)9-11-5-3-4-6-12(11)13/h3-6,10H,8-9H2,1-2H3
InChIKeyFJEYMEDTOCYZQZ-UHFFFAOYSA-N
XLogP3.07
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-dichlorophenyl)methyl-propan-2-ylamino]acetonitrile
CID 65317662
2-[(2-bromophenyl)methyl-propan-2-ylamino]acetonitrile
CID 62047839
2-[(2-chlorophenyl)methyl-methylamino]propanenitrile
CID 60646463
2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetonitrile
CID 51086725
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
1-[(2-chlorophenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol
CID 46007574
5-[(2-chlorophenyl)methyl-methylamino]pentanenitrile
CID 60692186
3-[(2,5-dichlorophenyl)methyl-propan-2-ylamino]propanenitrile
CID 65317902
(2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine
CID 124559501
3-[(2-chlorophenyl)methylsulfanyl]butanenitrile
CID 103288480
3-[(2-chloro-4-fluorophenyl)methyl-propan-2-ylamino]propanenitrile
CID 54996547
2-[(2-chlorophenyl)methyl-methylamino]prop-2-enenitrile
CID 83701832

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile?
The IUPAC name of 2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile (CID 62047660) is 2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile is CC(C)N(CC#N)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile?
The InChIKey is FJEYMEDTOCYZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-10(2)15(8-7-14)9-11-5-3-4-6-12(11)13/h3-6,10H,8-9H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile?
2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile has a molecular weight of 222.72 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile is sourced from PubChem (CID 62047660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).