4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine

C13H22ClN3 — CID 113315727

IUPAC4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine
SMILESCCN(CC)CC(C)Nc1cc(Cl)ccc1N
InChIInChI=1S/C13H22ClN3/c1-4-17(5-2)9-10(3)16-13-8-11(14)6-7-12(13)15/h6-8,10,16H,4-5,9,15H2,1-3H3
InChIKeyRQYHZYKODWRCCC-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.06
Rot. Bonds6

About 4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine

4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine (PubChem CID 113315727) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine
PubChem CID113315727
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine
SMILESCCN(CC)CC(C)Nc1cc(Cl)ccc1N
InChIInChI=1S/C13H22ClN3/c1-4-17(5-2)9-10(3)16-13-8-11(14)6-7-12(13)15/h6-8,10,16H,4-5,9,15H2,1-3H3
InChIKeyRQYHZYKODWRCCC-UHFFFAOYSA-N
XLogP3.06
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide
CID 63358713
3-(2-amino-5-chloroanilino)butan-1-ol
CID 83176405
4-chloro-2-N-[3-(diethylamino)propyl]benzene-1,2-diamine
CID 113315575
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
1-N-[1-(diethylamino)propan-2-yl]-2-iodobenzene-1,4-diamine
CID 66094177
2-(2-amino-5-chloroanilino)-4-methylpentan-1-ol
CID 115468697
1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63592624
2-[[2-(2-amino-5-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101401
4-chloro-2-N-(2,3-dimethylbutyl)benzene-1,2-diamine
CID 115469039
4-chloro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 113315721
N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide
CID 79481495
N-(2-amino-5-chlorophenyl)ethanesulfonamide
CID 16775889

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine (CID 113315727) is 4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine is CCN(CC)CC(C)Nc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine?
The InChIKey is RQYHZYKODWRCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-4-17(5-2)9-10(3)16-13-8-11(14)6-7-12(13)15/h6-8,10,16H,4-5,9,15H2,1-3H3.
What are the key properties of 4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine?
4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine has a molecular weight of 255.79 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine is sourced from PubChem (CID 113315727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).