[2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine

C15H15ClN2O3 — CID 114318299

IUPAC[2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine
SMILESCc1c(COc2cccc(Cl)c2CN)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H15ClN2O3/c1-10-11(4-2-6-14(10)18(19)20)9-21-15-7-3-5-13(16)12(15)8-17/h2-7H,8-9,17H2,1H3
InChIKeyFMFYVNZCSCRMDQ-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.59
Rot. Bonds5

About [2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine

[2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine (PubChem CID 114318299) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is [2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine
PubChem CID114318299
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name[2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine
SMILESCc1c(COc2cccc(Cl)c2CN)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H15ClN2O3/c1-10-11(4-2-6-14(10)18(19)20)9-21-15-7-3-5-13(16)12(15)8-17/h2-7H,8-9,17H2,1H3
InChIKeyFMFYVNZCSCRMDQ-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

2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 114321460
2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene
CID 107662001
1-[[2-(bromomethyl)-6-chlorophenoxy]methyl]-2-methyl-3-nitrobenzene
CID 115956758
[2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine
CID 63745768
2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol
CID 110891830
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine
CID 103114558
3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid
CID 61380157
[3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79156359
[2-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)phenyl]methanamine
CID 114417401
3-[(2-methyl-3-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 63336186
1-chloro-2-methyl-3-nitrobenzene
CID 6740
2-[(2-methyl-3-nitrophenoxy)methyl]benzonitrile
CID 47214179

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine (CID 114318299) is [2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine is Cc1c(COc2cccc(Cl)c2CN)cccc1[N+](=O)[O-].
What is the InChIKey of [2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine?
The InChIKey is FMFYVNZCSCRMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-10-11(4-2-6-14(10)18(19)20)9-21-15-7-3-5-13(16)12(15)8-17/h2-7H,8-9,17H2,1H3.
What are the key properties of [2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine?
[2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]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-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 114318299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).