2-chloro-4-N-propylbenzene-1,4-diamine

C9H13ClN2 — CID 144516176

IUPAC2-chloro-4-N-propylbenzene-1,4-diamine
SMILESCCCNc1ccc(N)c(Cl)c1
InChIInChI=1S/C9H13ClN2/c1-2-5-12-7-3-4-9(11)8(10)6-7/h3-4,6,12H,2,5,11H2,1H3
InChIKeySKRQCYDWJRAXRO-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.74
Rot. Bonds3

About 2-chloro-4-N-propylbenzene-1,4-diamine

2-chloro-4-N-propylbenzene-1,4-diamine (PubChem CID 144516176) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-chloro-4-N-propylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-propylbenzene-1,4-diamine
PubChem CID144516176
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name2-chloro-4-N-propylbenzene-1,4-diamine
SMILESCCCNc1ccc(N)c(Cl)c1
InChIInChI=1S/C9H13ClN2/c1-2-5-12-7-3-4-9(11)8(10)6-7/h3-4,6,12H,2,5,11H2,1H3
InChIKeySKRQCYDWJRAXRO-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.74
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

2-chloro-4-N-ethylbenzene-1,4-diamine
CID 68788899
2-(4-amino-3-chloroanilino)ethanol
CID 54315994
2-chloro-4-N-[3-(dimethylamino)propyl]benzene-1,4-diamine
CID 126636290
N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine
CID 54805609
ethyl 2-chloro-4-(propylamino)benzoate
CID 154119419
2-chloro-4-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]benzene-1,4-diamine
CID 153408997
3-(4-amino-3-methylanilino)propyl-methyl-propylazanium;2-methyl-4-N-propylbenzene-1,4-diamine
CID 144516192
2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine
CID 89075678
2-chloro-1-N-propylbenzene-1,4-diamine
CID 28902196
3-chloro-N-dodecyl-4-methylaniline
CID 63487569
4-chloro-N-propylisoquinolin-6-amine
CID 145136240
2-chloro-4-propylaniline
CID 19914844

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-propylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-propylbenzene-1,4-diamine (CID 144516176) is 2-chloro-4-N-propylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-propylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-propylbenzene-1,4-diamine is CCCNc1ccc(N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-N-propylbenzene-1,4-diamine?
The InChIKey is SKRQCYDWJRAXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-2-5-12-7-3-4-9(11)8(10)6-7/h3-4,6,12H,2,5,11H2,1H3.
What are the key properties of 2-chloro-4-N-propylbenzene-1,4-diamine?
2-chloro-4-N-propylbenzene-1,4-diamine has a molecular weight of 184.67 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-propylbenzene-1,4-diamine is sourced from PubChem (CID 144516176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).