N-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine

C13H20ClN3O2 — CID 28543307

IUPACN-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H20ClN3O2/c1-13(2,9-16(3)4)8-15-12-6-5-10(17(18)19)7-11(12)14/h5-7,15H,8-9H2,1-4H3
InChIKeyZFTQPQKZWYBAOO-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.25
Rot. Bonds6

About N-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine

N-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 28543307) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID28543307
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC NameN-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H20ClN3O2/c1-13(2,9-16(3)4)8-15-12-6-5-10(17(18)19)7-11(12)14/h5-7,15H,8-9H2,1-4H3
InChIKeyZFTQPQKZWYBAOO-UHFFFAOYSA-N
XLogP3.25
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.25
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

N-[2-(difluoromethyl)-4-nitrophenyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 63749883
2-[(2-chloro-4-nitroanilino)methyl]-2-ethylbutanoic acid
CID 115430067
N-but-2-ynyl-2-chloro-4-nitroaniline
CID 115869271
(1R)-N'-(2-chloro-4-nitrophenyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 7834758
1-(dimethylamino)-3-(2-iodo-4-nitroanilino)-2-methylpropan-2-ol
CID 106145416
N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 111336322
N,N,2,2-tetramethyl-N'-(3-methyl-2-nitrophenyl)propane-1,3-diamine
CID 102604986
2-chloro-N-[(4-ethylphenyl)methyl]-4-nitroaniline
CID 43686171
N,2-dichloro-4-nitroaniline
CID 57242965
2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene
CID 3515544
2-chloro-N-[(3,5-dichlorophenyl)methyl]-4-nitroaniline
CID 60789540
(2R)-3-(2-chloro-4-nitroanilino)-2-methylpropanenitrile
CID 95785203

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine (CID 28543307) is N-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is ZFTQPQKZWYBAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-13(2,9-16(3)4)8-15-12-6-5-10(17(18)19)7-11(12)14/h5-7,15H,8-9H2,1-4H3.
What are the key properties of N-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine?
N-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 285.77 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 28543307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).