(1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride

C8H11Cl2N3O2 — CID 171225892

IUPAC(1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@H](N)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C8H10ClN3O2.ClH/c9-6-2-1-5(7(11)4-10)3-8(6)12(13)14;/h1-3,7H,4,10-11H2;1H/t7-;/m0./s1
InChIKeyVASONYAWQSWKRJ-FJXQXJEOSA-N
MW252.10 g/mol
LogP1.63
Rot. Bonds3

About (1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride

(1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 171225892) has the molecular formula C8H11Cl2N3O2 and a molecular weight of 252.10 g/mol. Its IUPAC name is (1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride
PubChem CID171225892
Molecular FormulaC8H11Cl2N3O2
Molecular Weight252.10 g/mol
Exact Mass251.02
IUPAC Name(1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@H](N)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C8H10ClN3O2.ClH/c9-6-2-1-5(7(11)4-10)3-8(6)12(13)14;/h1-3,7H,4,10-11H2;1H/t7-;/m0./s1
InChIKeyVASONYAWQSWKRJ-FJXQXJEOSA-N
XLogP1.63
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 51.63
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

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CID 171225891
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CID 171313698
(1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride
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(3S)-3-amino-3-(4-chloro-3-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171248472
(3R)-3-amino-3-(4-chloro-3-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride
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(1S,2R)-1-amino-1-(4-chloro-3-nitrophenyl)propan-2-ol
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5-[(1R)-1,2-diaminoethyl]-3-nitrobenzene-1,2-diol;hydrochloride
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3-[(2-aminoacetyl)amino]-3-(4-chloro-3-nitrophenyl)propanoic acid
CID 70067988
(1R)-1-(4-bromo-3-nitrophenyl)propane-1,3-diamine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride (CID 171225892) is (1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride is Cl.NC[C@H](N)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of (1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is VASONYAWQSWKRJ-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H10ClN3O2.ClH/c9-6-2-1-5(7(11)4-10)3-8(6)12(13)14;/h1-3,7H,4,10-11H2;1H/t7-;/m0./s1.
What are the key properties of (1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride?
(1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 252.10 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171225892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).