4-(2-aminopropyl)-3,5-dichloroaniline

C9H12Cl2N2 — CID 10013674

IUPAC4-(2-aminopropyl)-3,5-dichloroaniline
SMILESCC(N)Cc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-5(12)2-7-8(10)3-6(13)4-9(7)11/h3-5H,2,12-13H2,1H3
InChIKeyWAUCISBZSYQBOB-UHFFFAOYSA-N
MW219.12 g/mol
LogP2.47
Rot. Bonds2

About 4-(2-aminopropyl)-3,5-dichloroaniline

4-(2-aminopropyl)-3,5-dichloroaniline (PubChem CID 10013674) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.12 g/mol. Its IUPAC name is 4-(2-aminopropyl)-3,5-dichloroaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-3,5-dichloroaniline
PubChem CID10013674
Molecular FormulaC9H12Cl2N2
Molecular Weight219.12 g/mol
Exact Mass218.04
IUPAC Name4-(2-aminopropyl)-3,5-dichloroaniline
SMILESCC(N)Cc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-5(12)2-7-8(10)3-6(13)4-9(7)11/h3-5H,2,12-13H2,1H3
InChIKeyWAUCISBZSYQBOB-UHFFFAOYSA-N
XLogP2.47
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-Chloro-4-methylaniline
CID 7255
3-Chloro-4-methylaniline hydrochloride
CID 62651
3-Chloro-2-methylaniline
CID 6894
2,2'-Dichlorobenzidine
CID 66538
3-Chloro-2-methylaniline hydrochloride
CID 80415
4-Amino-2-chloro-amphetamine
CID 10081101
Phenethylamine, 2-chloro-4-dimethylamino-alpha-methyl-, dihydrochloride
CID 3043609
Fla 365
CID 72777
4-(2-Amino-2-methylpropyl)-3-chloroaniline
CID 13679499
Phenethylamine, 2,6-dichloro-4-dimethylamino-alpha-methyl-, dihydrochloride
CID 72776
4-(Aminomethyl)-3-chloroaniline
CID 62946364
2-Chloro-biphenyl-4-ylamine
CID 39231621

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-3,5-dichloroaniline?
The IUPAC name of 4-(2-aminopropyl)-3,5-dichloroaniline (CID 10013674) is 4-(2-aminopropyl)-3,5-dichloroaniline.
What is the SMILES notation for 4-(2-aminopropyl)-3,5-dichloroaniline?
The canonical SMILES for 4-(2-aminopropyl)-3,5-dichloroaniline is CC(N)Cc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-(2-aminopropyl)-3,5-dichloroaniline?
The InChIKey is WAUCISBZSYQBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-5(12)2-7-8(10)3-6(13)4-9(7)11/h3-5H,2,12-13H2,1H3.
What are the key properties of 4-(2-aminopropyl)-3,5-dichloroaniline?
4-(2-aminopropyl)-3,5-dichloroaniline has a molecular weight of 219.12 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-3,5-dichloroaniline is sourced from PubChem (CID 10013674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).