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

C9H12Cl2N2 — CID 142697834

IUPAC4-(2-aminopropyl)-2,3-dichloroaniline
SMILESCC(N)Cc1ccc(N)c(Cl)c1Cl
InChIInChI=1S/C9H12Cl2N2/c1-5(12)4-6-2-3-7(13)9(11)8(6)10/h2-3,5H,4,12-13H2,1H3
InChIKeyMTROLYWPVWXEAC-UHFFFAOYSA-N
MW219.12 g/mol
LogP2.47
Rot. Bonds2

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

4-(2-aminopropyl)-2,3-dichloroaniline (PubChem CID 142697834) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.12 g/mol. Its IUPAC name is 4-(2-aminopropyl)-2,3-dichloroaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-2,3-dichloroaniline
PubChem CID142697834
Molecular FormulaC9H12Cl2N2
Molecular Weight219.12 g/mol
Exact Mass218.04
IUPAC Name4-(2-aminopropyl)-2,3-dichloroaniline
SMILESCC(N)Cc1ccc(N)c(Cl)c1Cl
InChIInChI=1S/C9H12Cl2N2/c1-5(12)4-6-2-3-7(13)9(11)8(6)10/h2-3,5H,4,12-13H2,1H3
InChIKeyMTROLYWPVWXEAC-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

1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
1-(4-chloro-2-iodophenyl)propan-2-amine
CID 130001695
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
1-(4,5-dichlorothiophen-3-yl)propan-2-amine
CID 59475094
1-[4-(2-aminopropyl)-2,3,5,6-tetrachlorophenyl]propan-2-amine
CID 170864520
1-(5-iodo-2-methylphenyl)propan-2-amine
CID 130041396
1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride
CID 3041172
4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride
CID 3043609
2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile
CID 131218490
1-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propan-2-amine
CID 117292036
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
1-(4-chlorophenyl)propan-2-amine
CID 3127

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-2,3-dichloroaniline?
The IUPAC name of 4-(2-aminopropyl)-2,3-dichloroaniline (CID 142697834) is 4-(2-aminopropyl)-2,3-dichloroaniline.
What is the SMILES notation for 4-(2-aminopropyl)-2,3-dichloroaniline?
The canonical SMILES for 4-(2-aminopropyl)-2,3-dichloroaniline is CC(N)Cc1ccc(N)c(Cl)c1Cl.
What is the InChIKey of 4-(2-aminopropyl)-2,3-dichloroaniline?
The InChIKey is MTROLYWPVWXEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-5(12)4-6-2-3-7(13)9(11)8(6)10/h2-3,5H,4,12-13H2,1H3.
What are the key properties of 4-(2-aminopropyl)-2,3-dichloroaniline?
4-(2-aminopropyl)-2,3-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)-2,3-dichloroaniline is sourced from PubChem (CID 142697834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).