4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride

C11H19Cl3N2 — CID 3043609

IUPAC4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride
SMILESCC(N)Cc1ccc(N(C)C)cc1Cl.Cl.Cl
InChIInChI=1S/C11H17ClN2.2ClH/c1-8(13)6-9-4-5-10(14(2)3)7-11(9)12;;/h4-5,7-8H,6,13H2,1-3H3;2*1H
InChIKeyHGJBTCRUCFIRAW-UHFFFAOYSA-N
MW285.65 g/mol
LogP3.14
Rot. Bonds3

About 4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride

4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride (PubChem CID 3043609) has the molecular formula C11H19Cl3N2 and a molecular weight of 285.65 g/mol. Its IUPAC name is 4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride.

Molecular Properties

Compound Name4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride
PubChem CID3043609
Molecular FormulaC11H19Cl3N2
Molecular Weight285.65 g/mol
Exact Mass284.06
IUPAC Name4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride
SMILESCC(N)Cc1ccc(N(C)C)cc1Cl.Cl.Cl
InChIInChI=1S/C11H17ClN2.2ClH/c1-8(13)6-9-4-5-10(14(2)3)7-11(9)12;;/h4-5,7-8H,6,13H2,1-3H3;2*1H
InChIKeyHGJBTCRUCFIRAW-UHFFFAOYSA-N
XLogP3.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.65
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride?
The IUPAC name of 4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride (CID 3043609) is 4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride.
What is the SMILES notation for 4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride?
The canonical SMILES for 4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride is CC(N)Cc1ccc(N(C)C)cc1Cl.Cl.Cl.
What is the InChIKey of 4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride?
The InChIKey is HGJBTCRUCFIRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2.2ClH/c1-8(13)6-9-4-5-10(14(2)3)7-11(9)12;;/h4-5,7-8H,6,13H2,1-3H3;2*1H.
What are the key properties of 4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride?
4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride has a molecular weight of 285.65 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride is sourced from PubChem (CID 3043609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).