4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile

C11H14ClN3 — CID 115319353

IUPAC4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile
SMILESCN(CCCN)c1ccc(C#N)cc1Cl
InChIInChI=1S/C11H14ClN3/c1-15(6-2-5-13)11-4-3-9(8-14)7-10(11)12/h3-4,7H,2,5-6,13H2,1H3
InChIKeySWDRUZYNJAMQAY-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.00
Rot. Bonds4

About 4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile

4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile (PubChem CID 115319353) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile.

Molecular Properties

Compound Name4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile
PubChem CID115319353
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile
SMILESCN(CCCN)c1ccc(C#N)cc1Cl
InChIInChI=1S/C11H14ClN3/c1-15(6-2-5-13)11-4-3-9(8-14)7-10(11)12/h3-4,7H,2,5-6,13H2,1H3
InChIKeySWDRUZYNJAMQAY-UHFFFAOYSA-N
XLogP2.00
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 79494133
4-[2-aminoethyl(methyl)amino]-3-bromobenzonitrile
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3-chloro-4-(4-cyano-N-methylanilino)benzonitrile
CID 63094109
3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzonitrile
CID 63087550
3-bromo-4-[butyl(methyl)amino]benzonitrile
CID 82796941
1-N-(2-aminoethyl)-2-chloro-1-N-methylbenzene-1,4-diamine
CID 82506047
methyl 4-(2-chloro-5-cyano-N-methylanilino)butanoate
CID 69104022
3-amino-4-[methyl(propyl)amino]benzonitrile
CID 43518165
3-chloro-4-[propan-2-yl(propyl)amino]benzonitrile
CID 63087879
3-chloro-4-[2-cyanoethyl(ethyl)amino]benzonitrile
CID 55220672
N-(2-chloro-4-cyanophenyl)-N-methylpropanamide
CID 44597129
N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine
CID 28772754

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile?
The IUPAC name of 4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile (CID 115319353) is 4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile.
What is the SMILES notation for 4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile?
The canonical SMILES for 4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile is CN(CCCN)c1ccc(C#N)cc1Cl.
What is the InChIKey of 4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile?
The InChIKey is SWDRUZYNJAMQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-15(6-2-5-13)11-4-3-9(8-14)7-10(11)12/h3-4,7H,2,5-6,13H2,1H3.
What are the key properties of 4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile?
4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile has a molecular weight of 223.71 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminopropyl(methyl)amino]-3-chlorobenzonitrile is sourced from PubChem (CID 115319353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).