2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile

C10H11ClN2 — CID 131218490

IUPAC2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile
SMILESC[C@H](N)Cc1ccc(Cl)cc1C#N
InChIInChI=1S/C10H11ClN2/c1-7(13)4-8-2-3-10(11)5-9(8)6-12/h2-3,5,7H,4,13H2,1H3/t7-/m0/s1
InChIKeyZTDDRYCGEROCRC-ZETCQYMHSA-N
MW194.66 g/mol
LogP2.10
Rot. Bonds2

About 2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile

2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile (PubChem CID 131218490) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile.

Molecular Properties

Compound Name2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile
PubChem CID131218490
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile
SMILESC[C@H](N)Cc1ccc(Cl)cc1C#N
InChIInChI=1S/C10H11ClN2/c1-7(13)4-8-2-3-10(11)5-9(8)6-12/h2-3,5,7H,4,13H2,1H3/t7-/m0/s1
InChIKeyZTDDRYCGEROCRC-ZETCQYMHSA-N
XLogP2.10
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-iodophenyl)propan-2-amine
CID 130001695
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
5-chloro-2-(cyanomethyl)benzonitrile
CID 12668062
2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile
CID 60907852
1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114865881
3-[(2S)-2-aminopropyl]-2-methylbenzonitrile
CID 99945744
methyl (2S)-2-amino-3-(5-chloro-2-cyanophenyl)propanoate
CID 171238457
2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 114861536
2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline
CID 114861429
2-[2-(1-aminoethylsulfanyl)-2-phenylethyl]-4-chlorobenzonitrile
CID 170225584
1-[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114866451
1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine
CID 114862844

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile?
The IUPAC name of 2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile (CID 131218490) is 2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile.
What is the SMILES notation for 2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile?
The canonical SMILES for 2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile is C[C@H](N)Cc1ccc(Cl)cc1C#N.
What is the InChIKey of 2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile?
The InChIKey is ZTDDRYCGEROCRC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-7(13)4-8-2-3-10(11)5-9(8)6-12/h2-3,5,7H,4,13H2,1H3/t7-/m0/s1.
What are the key properties of 2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile?
2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile has a molecular weight of 194.66 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile is sourced from PubChem (CID 131218490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).