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

C10H15ClN2 — CID 68788018

IUPAC4-chloro-1-N,2-N-diethylbenzene-1,2-diamine
SMILESCCNc1ccc(Cl)cc1NCC
InChIInChI=1S/C10H15ClN2/c1-3-12-9-6-5-8(11)7-10(9)13-4-2/h5-7,12-13H,3-4H2,1-2H3
InChIKeyVNZMXFKRSHVATA-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.20
Rot. Bonds4

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

4-chloro-1-N,2-N-diethylbenzene-1,2-diamine (PubChem CID 68788018) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 4-chloro-1-N,2-N-diethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N,2-N-diethylbenzene-1,2-diamine
PubChem CID68788018
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name4-chloro-1-N,2-N-diethylbenzene-1,2-diamine
SMILESCCNc1ccc(Cl)cc1NCC
InChIInChI=1S/C10H15ClN2/c1-3-12-9-6-5-8(11)7-10(9)13-4-2/h5-7,12-13H,3-4H2,1-2H3
InChIKeyVNZMXFKRSHVATA-UHFFFAOYSA-N
XLogP3.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine
CID 171534963
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5-chloro-N-ethyl-2-phenylaniline
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1-[4-chloro-2-(ethylamino)phenyl]propan-1-one
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4-chloro-2-(ethylamino)benzenecarboximidamide
CID 63094553
3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide
CID 75448856
5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide
CID 81256088
5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
[5-chloro-2-(ethylamino)phenyl]methyl carbamate
CID 175511090
4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine
CID 12589570

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N,2-N-diethylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N,2-N-diethylbenzene-1,2-diamine (CID 68788018) is 4-chloro-1-N,2-N-diethylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N,2-N-diethylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N,2-N-diethylbenzene-1,2-diamine is CCNc1ccc(Cl)cc1NCC.
What is the InChIKey of 4-chloro-1-N,2-N-diethylbenzene-1,2-diamine?
The InChIKey is VNZMXFKRSHVATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-3-12-9-6-5-8(11)7-10(9)13-4-2/h5-7,12-13H,3-4H2,1-2H3.
What are the key properties of 4-chloro-1-N,2-N-diethylbenzene-1,2-diamine?
4-chloro-1-N,2-N-diethylbenzene-1,2-diamine has a molecular weight of 198.70 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N,2-N-diethylbenzene-1,2-diamine is sourced from PubChem (CID 68788018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).