2-(3-bromoanilino)-2-cyclohexylpropanenitrile

C15H19BrN2 — CID 54886889

IUPAC2-(3-bromoanilino)-2-cyclohexylpropanenitrile
SMILESCC(C#N)(Nc1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C15H19BrN2/c1-15(11-17,12-6-3-2-4-7-12)18-14-9-5-8-13(16)10-14/h5,8-10,12,18H,2-4,6-7H2,1H3
InChIKeyAZMLFFDIULBZJS-UHFFFAOYSA-N
MW307.23 g/mol
LogP4.72
Rot. Bonds3

About 2-(3-bromoanilino)-2-cyclohexylpropanenitrile

2-(3-bromoanilino)-2-cyclohexylpropanenitrile (PubChem CID 54886889) has the molecular formula C15H19BrN2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-cyclohexylpropanenitrile.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-cyclohexylpropanenitrile
PubChem CID54886889
Molecular FormulaC15H19BrN2
Molecular Weight307.23 g/mol
Exact Mass306.07
IUPAC Name2-(3-bromoanilino)-2-cyclohexylpropanenitrile
SMILESCC(C#N)(Nc1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C15H19BrN2/c1-15(11-17,12-6-3-2-4-7-12)18-14-9-5-8-13(16)10-14/h5,8-10,12,18H,2-4,6-7H2,1H3
InChIKeyAZMLFFDIULBZJS-UHFFFAOYSA-N
XLogP4.72
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-2-cyclohexylpropanenitrile
CID 54886371
2-(3-bromoanilino)-2-[4-(dimethylamino)phenyl]propanenitrile
CID 60990280
2-cyclopropyl-2-(4-methylanilino)propanenitrile
CID 60986860
2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile
CID 130509135
1-(3-bromoanilino)-4-tert-butylcycloheptane-1-carbonitrile
CID 65089898
2-(3-bromoanilino)-2-cyclopropylpropanoic acid
CID 60994138
2-(3-bromoanilino)-2-cyclopropylpropanamide
CID 61006538
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)cyclohexane-1,2-diamine
CID 12024701
3-bromo-N-(4-tert-butylcyclohexyl)aniline
CID 28546222
2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine
CID 65378521
2-methyl-2-(3-methylanilino)propanenitrile
CID 60719838
2-(3-bromoanilino)-3-(4-fluorophenyl)-2-methylpropanenitrile
CID 114831825

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-cyclohexylpropanenitrile?
The IUPAC name of 2-(3-bromoanilino)-2-cyclohexylpropanenitrile (CID 54886889) is 2-(3-bromoanilino)-2-cyclohexylpropanenitrile.
What is the SMILES notation for 2-(3-bromoanilino)-2-cyclohexylpropanenitrile?
The canonical SMILES for 2-(3-bromoanilino)-2-cyclohexylpropanenitrile is CC(C#N)(Nc1cccc(Br)c1)C1CCCCC1.
What is the InChIKey of 2-(3-bromoanilino)-2-cyclohexylpropanenitrile?
The InChIKey is AZMLFFDIULBZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-15(11-17,12-6-3-2-4-7-12)18-14-9-5-8-13(16)10-14/h5,8-10,12,18H,2-4,6-7H2,1H3.
What are the key properties of 2-(3-bromoanilino)-2-cyclohexylpropanenitrile?
2-(3-bromoanilino)-2-cyclohexylpropanenitrile has a molecular weight of 307.23 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-cyclohexylpropanenitrile is sourced from PubChem (CID 54886889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).