[2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine

C14H13ClN2O4 — CID 62110298

IUPAC[2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
SMILESCOc1cc([N+](=O)[O-])ccc1Oc1cccc(Cl)c1CN
InChIInChI=1S/C14H13ClN2O4/c1-20-14-7-9(17(18)19)5-6-13(14)21-12-4-2-3-11(15)10(12)8-16/h2-7H,8,16H2,1H3
InChIKeyODRTYRLNCCRLOO-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.51
Rot. Bonds5

About [2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine

[2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine (PubChem CID 62110298) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is [2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
PubChem CID62110298
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name[2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
SMILESCOc1cc([N+](=O)[O-])ccc1Oc1cccc(Cl)c1CN
InChIInChI=1S/C14H13ClN2O4/c1-20-14-7-9(17(18)19)5-6-13(14)21-12-4-2-3-11(15)10(12)8-16/h2-7H,8,16H2,1H3
InChIKeyODRTYRLNCCRLOO-UHFFFAOYSA-N
XLogP3.51
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol
CID 61031935
[4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
CID 62110461
[2-chloro-6-(2-chloro-5-nitrophenoxy)phenyl]methanol
CID 63992960
[4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanamine
CID 114856723
1-chloro-2-(chloromethyl)-3-(2-fluoro-4-nitrophenoxy)benzene
CID 63566971
[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 60889382
[2-(2-chloro-4-nitrophenoxy)phenyl]methanamine
CID 54915300
4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
CID 78916228
[2-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)phenyl]methanamine
CID 114417401
2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid
CID 134869553
4-(2-chloro-4-nitrophenoxy)-3-methoxybenzonitrile
CID 9195338
1-(2-chlorophenyl)-2-methoxy-4-nitrobenzene
CID 134109564

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine (CID 62110298) is [2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine is COc1cc([N+](=O)[O-])ccc1Oc1cccc(Cl)c1CN.
What is the InChIKey of [2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine?
The InChIKey is ODRTYRLNCCRLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-20-14-7-9(17(18)19)5-6-13(14)21-12-4-2-3-11(15)10(12)8-16/h2-7H,8,16H2,1H3.
What are the key properties of [2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine?
[2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine has a molecular weight of 308.72 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine is sourced from PubChem (CID 62110298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).