(1R)-1-(3-chloro-4-nitrophenyl)ethanamine

C8H9ClN2O2 — CID 96955788

IUPAC(1R)-1-(3-chloro-4-nitrophenyl)ethanamine
SMILESC[C@@H](N)c1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C8H9ClN2O2/c1-5(10)6-2-3-8(11(12)13)7(9)4-6/h2-5H,10H2,1H3/t5-/m1/s1
InChIKeyALYRDUFZKPWPLF-RXMQYKEDSA-N
MW200.63 g/mol
LogP2.27
Rot. Bonds2

About (1R)-1-(3-chloro-4-nitrophenyl)ethanamine

(1R)-1-(3-chloro-4-nitrophenyl)ethanamine (PubChem CID 96955788) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is (1R)-1-(3-chloro-4-nitrophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chloro-4-nitrophenyl)ethanamine
PubChem CID96955788
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name(1R)-1-(3-chloro-4-nitrophenyl)ethanamine
SMILESC[C@@H](N)c1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C8H9ClN2O2/c1-5(10)6-2-3-8(11(12)13)7(9)4-6/h2-5H,10H2,1H3/t5-/m1/s1
InChIKeyALYRDUFZKPWPLF-RXMQYKEDSA-N
XLogP2.27
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 52.27
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

(1S)-1-(3-methyl-4-nitrophenyl)ethanamine
CID 96955481
2-(3-chloro-4-nitrophenyl)-3-methylbutanenitrile
CID 13265134
(1S)-1-(4-iodo-3-nitrophenyl)ethanamine
CID 130741027
1-(4-fluoro-3-nitrophenyl)ethanamine
CID 55283100
(1S,2R)-1-amino-1-(4-chloro-3-nitrophenyl)propan-2-ol
CID 131600174
1-[4-(2-chloro-6-nitrophenoxy)-3-fluorophenyl]ethanamine
CID 107717151
3-chloro-N-[1-(4-iodophenyl)ethyl]-4-nitroaniline
CID 82865256
(1S)-1-[4-(3-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370009
1-(3-nitro-4-thiophen-3-ylphenyl)ethanamine
CID 126539505
1-[3-bromo-4-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 62911397
ethyl 2-[(3-chloro-4-nitrobenzoyl)amino]propanoate
CID 82781155
1-[4-[(2-chloro-6-nitrophenyl)methoxy]phenyl]ethanamine
CID 63746767

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-4-nitrophenyl)ethanamine?
The IUPAC name of (1R)-1-(3-chloro-4-nitrophenyl)ethanamine (CID 96955788) is (1R)-1-(3-chloro-4-nitrophenyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-chloro-4-nitrophenyl)ethanamine?
The canonical SMILES for (1R)-1-(3-chloro-4-nitrophenyl)ethanamine is C[C@@H](N)c1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of (1R)-1-(3-chloro-4-nitrophenyl)ethanamine?
The InChIKey is ALYRDUFZKPWPLF-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-5(10)6-2-3-8(11(12)13)7(9)4-6/h2-5H,10H2,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-(3-chloro-4-nitrophenyl)ethanamine?
(1R)-1-(3-chloro-4-nitrophenyl)ethanamine has a molecular weight of 200.63 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-4-nitrophenyl)ethanamine is sourced from PubChem (CID 96955788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).