1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine

C10H14ClNO — CID 117288952

IUPAC1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine
SMILESCONCc1c(Cl)ccc(C)c1C
InChIInChI=1S/C10H14ClNO/c1-7-4-5-10(11)9(8(7)2)6-12-13-3/h4-5,12H,6H2,1-3H3
InChIKeyQBXZIERPPPNVOM-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.61
Rot. Bonds3

About 1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine

1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine (PubChem CID 117288952) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine
PubChem CID117288952
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine
SMILESCONCc1c(Cl)ccc(C)c1C
InChIInChI=1S/C10H14ClNO/c1-7-4-5-10(11)9(8(7)2)6-12-13-3/h4-5,12H,6H2,1-3H3
InChIKeyQBXZIERPPPNVOM-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-[(methoxyamino)methyl]-3-methylphenol
CID 117290479
1-(6-chloro-2,3-dimethylphenyl)-N-methylmethanamine
CID 84659371
N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine
CID 117280314
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117331664
1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine
CID 117292243
1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313541
1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117323976
2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol
CID 117287079
1-(3,6-dichloro-2-pyridinyl)-N-methoxymethanamine
CID 131041653
1-(6-chloro-2,3-dimethylphenyl)propan-2-ol
CID 117288115
1-(2-bromo-3-fluoro-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117409447
N-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine
CID 117327472

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine (CID 117288952) is 1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine is CONCc1c(Cl)ccc(C)c1C.
What is the InChIKey of 1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine?
The InChIKey is QBXZIERPPPNVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7-4-5-10(11)9(8(7)2)6-12-13-3/h4-5,12H,6H2,1-3H3.
What are the key properties of 1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine?
1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine has a molecular weight of 199.68 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117288952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).