2-(3-bromophenyl)-2-[methyl(propyl)amino]acetonitrile

C12H15BrN2 — CID 82092147

IUPAC2-(3-bromophenyl)-2-[methyl(propyl)amino]acetonitrile
SMILESCCCN(C)C(C#N)c1cccc(Br)c1
InChIInChI=1S/C12H15BrN2/c1-3-7-15(2)12(9-14)10-5-4-6-11(13)8-10/h4-6,8,12H,3,7H2,1-2H3
InChIKeySEKKEPJNRXRRFC-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.36
Rot. Bonds4

About 2-(3-bromophenyl)-2-[methyl(propyl)amino]acetonitrile

2-(3-bromophenyl)-2-[methyl(propyl)amino]acetonitrile (PubChem CID 82092147) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-[methyl(propyl)amino]acetonitrile.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-[methyl(propyl)amino]acetonitrile
PubChem CID82092147
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name2-(3-bromophenyl)-2-[methyl(propyl)amino]acetonitrile
SMILESCCCN(C)C(C#N)c1cccc(Br)c1
InChIInChI=1S/C12H15BrN2/c1-3-7-15(2)12(9-14)10-5-4-6-11(13)8-10/h4-6,8,12H,3,7H2,1-2H3
InChIKeySEKKEPJNRXRRFC-UHFFFAOYSA-N
XLogP3.36
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)-cyanomethyl]-N,2-dimethylpropanamide
CID 82124573
2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile
CID 84757581
1-(3-bromophenyl)-2-(dipropylamino)ethanol
CID 82216690
1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 55099187
2-[methyl(propyl)amino]-2-thiophen-2-ylacetonitrile
CID 82075985
2-[butyl(methyl)amino]-2-(3,4-dichlorophenyl)acetonitrile
CID 84757704
2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 84756911
2-(3-bromophenyl)-2-(methylamino)acetonitrile
CID 43114986
N-[(3-bromophenyl)-cyanomethyl]butanamide
CID 82124253
1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269395
N-[2-(3-bromophenyl)-2-chloroethyl]-N-methylbutan-1-amine
CID 82215317
(1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol
CID 52535526

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-[methyl(propyl)amino]acetonitrile?
The IUPAC name of 2-(3-bromophenyl)-2-[methyl(propyl)amino]acetonitrile (CID 82092147) is 2-(3-bromophenyl)-2-[methyl(propyl)amino]acetonitrile.
What is the SMILES notation for 2-(3-bromophenyl)-2-[methyl(propyl)amino]acetonitrile?
The canonical SMILES for 2-(3-bromophenyl)-2-[methyl(propyl)amino]acetonitrile is CCCN(C)C(C#N)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-[methyl(propyl)amino]acetonitrile?
The InChIKey is SEKKEPJNRXRRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-3-7-15(2)12(9-14)10-5-4-6-11(13)8-10/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-2-[methyl(propyl)amino]acetonitrile?
2-(3-bromophenyl)-2-[methyl(propyl)amino]acetonitrile has a molecular weight of 267.17 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-[methyl(propyl)amino]acetonitrile is sourced from PubChem (CID 82092147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).