[2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine

C15H15ClN2O3 — CID 63745768

IUPAC[2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine
SMILESCc1ccc(OCc2c(Cl)cccc2[N+](=O)[O-])c(CN)c1
InChIInChI=1S/C15H15ClN2O3/c1-10-5-6-15(11(7-10)8-17)21-9-12-13(16)3-2-4-14(12)18(19)20/h2-7H,8-9,17H2,1H3
InChIKeyZSMRZANSMTZANN-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.59
Rot. Bonds5

About [2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine

[2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine (PubChem CID 63745768) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is [2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine
PubChem CID63745768
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name[2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine
SMILESCc1ccc(OCc2c(Cl)cccc2[N+](=O)[O-])c(CN)c1
InChIInChI=1S/C15H15ClN2O3/c1-10-5-6-15(11(7-10)8-17)21-9-12-13(16)3-2-4-14(12)18(19)20/h2-7H,8-9,17H2,1H3
InChIKeyZSMRZANSMTZANN-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
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

1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene
CID 64854337
[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 60889382
[3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79156359
[2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine
CID 114318299
3-chloro-4-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde
CID 63746153
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-nitrobenzene
CID 107691151
1-chloro-3-nitro-2-(phenoxymethyl)benzene
CID 64765077
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-1-chloro-3-nitrobenzene
CID 107691546
[5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine
CID 107717651
[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694925
4-chloro-2-[(2-chloro-6-nitrophenyl)methoxy]benzonitrile
CID 114322777
1-chloro-3-(chloromethyl)-2-[(2-chloro-6-nitrophenyl)methoxy]benzene
CID 115956582

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine?
The IUPAC name of [2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine (CID 63745768) is [2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine.
What is the SMILES notation for [2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine?
The canonical SMILES for [2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine is Cc1ccc(OCc2c(Cl)cccc2[N+](=O)[O-])c(CN)c1.
What is the InChIKey of [2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine?
The InChIKey is ZSMRZANSMTZANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-10-5-6-15(11(7-10)8-17)21-9-12-13(16)3-2-4-14(12)18(19)20/h2-7H,8-9,17H2,1H3.
What are the key properties of [2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine?
[2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine has a molecular weight of 306.75 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine is sourced from PubChem (CID 63745768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).