(1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride

C11H14Cl2N2O2 — CID 171206339

IUPAC(1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13ClN2O2.ClH/c12-9-4-3-8(6-11(9)14(15)16)10(13)5-7-1-2-7;/h3-4,6-7,10H,1-2,5,13H2;1H/t10-;/m1./s1
InChIKeyYGLNHCZADCCTGC-HNCPQSOCSA-N
MW277.15 g/mol
LogP3.47
Rot. Bonds4

About (1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride

(1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride (PubChem CID 171206339) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is (1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride
PubChem CID171206339
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name(1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13ClN2O2.ClH/c12-9-4-3-8(6-11(9)14(15)16)10(13)5-7-1-2-7;/h3-4,6-7,10H,1-2,5,13H2;1H/t10-;/m1./s1
InChIKeyYGLNHCZADCCTGC-HNCPQSOCSA-N
XLogP3.47
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride
CID 171225892
(1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride
CID 171225891
(1R)-1-(4-chloro-3-nitrophenyl)-3,3-difluoropropan-1-amine
CID 171313698
(R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314399
(1S)-1-(4-chloro-3-nitrophenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171225933
1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine
CID 103693328
(1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine
CID 130840491
ethyl (3R)-3-amino-3-(4-chloro-3-nitrophenyl)propanoate;hydrochloride
CID 171206368
(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
CID 171241749
4-[(1S)-1-amino-2-cyclopropylethyl]-2-methoxy-6-nitrophenol
CID 171227667
(1S,2R)-1-amino-1-(4-chloro-3-nitrophenyl)propan-2-ol
CID 131600174

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride?
The IUPAC name of (1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride (CID 171206339) is (1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride is Cl.N[C@H](CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of (1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride?
The InChIKey is YGLNHCZADCCTGC-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H13ClN2O2.ClH/c12-9-4-3-8(6-11(9)14(15)16)10(13)5-7-1-2-7;/h3-4,6-7,10H,1-2,5,13H2;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride?
(1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride has a molecular weight of 277.15 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride is sourced from PubChem (CID 171206339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).