N-(4-chloro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine

C10H14ClN3O2 — CID 2829597

IUPACN-(4-chloro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14ClN3O2/c1-13(2)6-5-12-9-4-3-8(11)7-10(9)14(15)16/h3-4,7,12H,5-6H2,1-2H3
InChIKeyBJQJYGBOWKQYTR-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.22
Rot. Bonds5

About N-(4-chloro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine

N-(4-chloro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 2829597) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID2829597
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC NameN-(4-chloro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14ClN3O2/c1-13(2)6-5-12-9-4-3-8(11)7-10(9)14(15)16/h3-4,7,12H,5-6H2,1-2H3
InChIKeyBJQJYGBOWKQYTR-UHFFFAOYSA-N
XLogP2.22
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 3581192
HC Yellow no. 12
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1-(2-Nitrophenyl)piperazine
CID 100949
4-(5-Chloro-2-nitrophenyl)morpholine
CID 2829611
4-chloro-2-nitro-N-phenylaniline
CID 85511
4-(4-Chloro-2-nitrophenyl)morpholine
CID 522191
1-(2-Chloro-4-nitrophenyl)piperazine
CID 2771331
1-(5-Chloro-2-nitrophenyl)piperidine
CID 3096079
N-[(2-chlorophenyl)methyl]-2-nitroaniline
CID 3794164
5-Chloro-2-(4-methyl-1-piperazinyl)benzenamine
CID 2104082
Benzenamine, 4-chloro-N-ethyl-2-nitro-
CID 97006

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine (CID 2829597) is N-(4-chloro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is BJQJYGBOWKQYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-13(2)6-5-12-9-4-3-8(11)7-10(9)14(15)16/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of N-(4-chloro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine?
N-(4-chloro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 243.69 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 2829597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).