(1S)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanamine

C15H15ClN2O3 — CID 79555825

IUPAC(1S)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1OCc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15ClN2O3/c1-10(17)13-4-2-3-5-15(13)21-9-11-8-12(16)6-7-14(11)18(19)20/h2-8,10H,9,17H2,1H3/t10-/m0/s1
InChIKeyREAJIKBHVOJMEU-JTQLQIEISA-N
MW306.75 g/mol
LogP3.85
Rot. Bonds5

About (1S)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanamine

(1S)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanamine (PubChem CID 79555825) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is (1S)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanamine
PubChem CID79555825
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name(1S)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1OCc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15ClN2O3/c1-10(17)13-4-2-3-5-15(13)21-9-11-8-12(16)6-7-14(11)18(19)20/h2-8,10H,9,17H2,1H3/t10-/m0/s1
InChIKeyREAJIKBHVOJMEU-JTQLQIEISA-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

4-chloro-1-nitro-2-[(2-propan-2-ylphenoxy)methyl]benzene
CID 79556511
(1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol
CID 79557153
(1R)-1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 79005256
(1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78936759
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanone
CID 79211794
(1S)-1-[5-bromo-2-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367868
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-4-chloro-1-nitrobenzene
CID 79557676
3-[(5-chloro-2-nitrophenyl)methoxy]aniline
CID 79579913
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanamine (CID 79555825) is (1S)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanamine is C[C@H](N)c1ccccc1OCc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of (1S)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanamine?
The InChIKey is REAJIKBHVOJMEU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-10(17)13-4-2-3-5-15(13)21-9-11-8-12(16)6-7-14(11)18(19)20/h2-8,10H,9,17H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanamine?
(1S)-1-[2-[(5-chloro-2-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 (1S)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 79555825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).