1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine

C10H14ClNO — CID 106862753

IUPAC1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine
SMILESCCONCc1ccc(C)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-3-13-12-7-9-5-4-8(2)6-10(9)11/h4-6,12H,3,7H2,1-2H3
InChIKeyJDMUDVPHHPWEGG-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.69
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine

1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine (PubChem CID 106862753) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine
PubChem CID106862753
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine
SMILESCCONCc1ccc(C)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-3-13-12-7-9-5-4-8(2)6-10(9)11/h4-6,12H,3,7H2,1-2H3
InChIKeyJDMUDVPHHPWEGG-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 106862733
(2-chloro-4-methylphenyl)methylhydrazine
CID 106860884
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106869920
2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol
CID 106862592
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one
CID 106865364
N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine
CID 106862878
N-[(2-chloro-4-methylphenyl)methyl]prop-2-yn-1-amine
CID 106862000
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
N-[(2-chloro-4-methylphenyl)methyl]-2-methylpentan-2-amine
CID 106863177
2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide
CID 106863102
2-[3-[(2-chloro-4-methylphenyl)methylamino]propoxy]ethanol
CID 106309804

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine (CID 106862753) is 1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine is CCONCc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine?
The InChIKey is JDMUDVPHHPWEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-3-13-12-7-9-5-4-8(2)6-10(9)11/h4-6,12H,3,7H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine?
1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine has a molecular weight of 199.68 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine is sourced from PubChem (CID 106862753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).