N-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine

C11H14ClN3O2 — CID 113316435

IUPACN-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine
SMILESNCC(Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H14ClN3O2/c12-8-3-4-11(15(16)17)9(5-8)14-10(6-13)7-1-2-7/h3-5,7,10,14H,1-2,6,13H2
InChIKeyNWIWWDYCQYMWJM-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.40
Rot. Bonds5

About N-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine

N-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine (PubChem CID 113316435) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is N-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine
PubChem CID113316435
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC NameN-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine
SMILESNCC(Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H14ClN3O2/c12-8-3-4-11(15(16)17)9(5-8)14-10(6-13)7-1-2-7/h3-5,7,10,14H,1-2,6,13H2
InChIKeyNWIWWDYCQYMWJM-UHFFFAOYSA-N
XLogP2.40
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.40
H-Bond Donors ≤ 52
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-(4-chloro-5-fluoro-2-nitrophenyl)-1-cyclohexylethane-1,2-diamine
CID 115309612
2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid
CID 115469364
1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine
CID 106738241
1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine
CID 103594245
1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine
CID 106738349
N-bromo-5-chloro-2-nitroaniline
CID 150892624
5-[(2-amino-1-cyclopentylethyl)amino]-2-nitrobenzonitrile
CID 106738094
1-N-(2-amino-1-cyclohexylethyl)-4-nitrobenzene-1,3-diamine
CID 106749961
1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738229
2-[(2-amino-1-cyclopentylethyl)amino]-5-nitrobenzonitrile
CID 106738095
N-(5-chloro-2-nitrophenyl)cycloheptanamine
CID 22922481
1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738167

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine?
The IUPAC name of N-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine (CID 113316435) is N-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine?
The canonical SMILES for N-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine is NCC(Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1.
What is the InChIKey of N-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine?
The InChIKey is NWIWWDYCQYMWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-8-3-4-11(15(16)17)9(5-8)14-10(6-13)7-1-2-7/h3-5,7,10,14H,1-2,6,13H2.
What are the key properties of N-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine?
N-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine has a molecular weight of 255.70 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 113316435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).