3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile

C13H17BrN2 — CID 81383586

IUPAC3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile
SMILESCCC(CC#N)N[C@H](C)c1ccccc1Br
InChIInChI=1S/C13H17BrN2/c1-3-11(8-9-15)16-10(2)12-6-4-5-7-13(12)14/h4-7,10-11,16H,3,8H2,1-2H3/t10-,11?/m1/s1
InChIKeyWGUAFANTXOXDKW-NFJWQWPMSA-N
MW281.20 g/mol
LogP3.79
Rot. Bonds5

About 3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile

3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile (PubChem CID 81383586) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile.

Molecular Properties

Compound Name3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile
PubChem CID81383586
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile
SMILESCCC(CC#N)N[C@H](C)c1ccccc1Br
InChIInChI=1S/C13H17BrN2/c1-3-11(8-9-15)16-10(2)12-6-4-5-7-13(12)14/h4-7,10-11,16H,3,8H2,1-2H3/t10-,11?/m1/s1
InChIKeyWGUAFANTXOXDKW-NFJWQWPMSA-N
XLogP3.79
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1R)-1-(2-bromophenyl)ethyl]amino]butanenitrile
CID 81383503
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]butanenitrile
CID 81383830
N-[1-(2-bromophenyl)ethyl]hexan-3-amine
CID 63477080
3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile
CID 62647462
N-[(1R)-1-(2-bromophenyl)ethyl]pent-1-yn-3-amine
CID 104865346
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-4-amine
CID 81383471
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]pentanenitrile
CID 81360191
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 81378481
3-(2,6-dibromoanilino)pentanenitrile
CID 107599042
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-2-amine
CID 81383315
3-[1-(3-hydroxyphenyl)ethylamino]pentanenitrile
CID 62647469

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile?
The IUPAC name of 3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile (CID 81383586) is 3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile.
What is the SMILES notation for 3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile?
The canonical SMILES for 3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile is CCC(CC#N)N[C@H](C)c1ccccc1Br.
What is the InChIKey of 3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile?
The InChIKey is WGUAFANTXOXDKW-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-3-11(8-9-15)16-10(2)12-6-4-5-7-13(12)14/h4-7,10-11,16H,3,8H2,1-2H3/t10-,11?/m1/s1.
What are the key properties of 3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile?
3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile has a molecular weight of 281.20 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile is sourced from PubChem (CID 81383586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).