(1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine

C15H15ClN2O3 — CID 63368526

IUPAC(1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(OCc2ccc([N+](=O)[O-])cc2Cl)c1
InChIInChI=1S/C15H15ClN2O3/c1-10(17)11-3-2-4-14(7-11)21-9-12-5-6-13(18(19)20)8-15(12)16/h2-8,10H,9,17H2,1H3/t10-/m1/s1
InChIKeyMAFDZICSDNLSFJ-SNVBAGLBSA-N
MW306.75 g/mol
LogP3.85
Rot. Bonds5

About (1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine

(1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine (PubChem CID 63368526) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is (1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine
PubChem CID63368526
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name(1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(OCc2ccc([N+](=O)[O-])cc2Cl)c1
InChIInChI=1S/C15H15ClN2O3/c1-10(17)11-3-2-4-14(7-11)21-9-12-5-6-13(18(19)20)8-15(12)16/h2-8,10H,9,17H2,1H3/t10-/m1/s1
InChIKeyMAFDZICSDNLSFJ-SNVBAGLBSA-N
XLogP3.85
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.85
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

(1S)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanol
CID 78934285
4-[[3-(1-aminoethyl)phenoxy]methyl]-3-chlorobenzonitrile
CID 102663637
(1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367375
(1R)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 78937008
(1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367201
(1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615235
1-[(4-nitrophenyl)methoxy]-3-propan-2-ylbenzene
CID 155228250
1-(3-nitrophenyl)ethanamine;hydrochloride
CID 23105088
(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 55190099
1-(2-chloro-4-nitrophenyl)-3-methylbutan-2-amine
CID 63196953
4-nitro-2-[(3-nitrophenoxy)methyl]aniline
CID 62195790
5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine
CID 113296504

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine (CID 63368526) is (1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine is C[C@@H](N)c1cccc(OCc2ccc([N+](=O)[O-])cc2Cl)c1.
What is the InChIKey of (1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine?
The InChIKey is MAFDZICSDNLSFJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-10(17)11-3-2-4-14(7-11)21-9-12-5-6-13(18(19)20)8-15(12)16/h2-8,10H,9,17H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine?
(1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine has a molecular weight of 306.75 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 63368526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).