N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine

C13H21NO — CID 60956458

IUPACN-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine
SMILESCCOCCNCc1cccc(C)c1C
InChIInChI=1S/C13H21NO/c1-4-15-9-8-14-10-13-7-5-6-11(2)12(13)3/h5-7,14H,4,8-10H2,1-3H3
InChIKeyBWNUQMNADUMENJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.43
Rot. Bonds6

About N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine

N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine (PubChem CID 60956458) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine
PubChem CID60956458
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine
SMILESCCOCCNCc1cccc(C)c1C
InChIInChI=1S/C13H21NO/c1-4-15-9-8-14-10-13-7-5-6-11(2)12(13)3/h5-7,14H,4,8-10H2,1-3H3
InChIKeyBWNUQMNADUMENJ-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(2,3-dimethylphenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405496
2-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 43591038
N-[(2,3-dimethylphenyl)methyl]-3-methoxypropan-1-amine
CID 60657619
N-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 60657470
2-[(2-ethoxyethylamino)methyl]-6-fluorophenol
CID 112606435
2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114699562
3-[(2,3-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54944678
N-[(2,3-dimethylphenyl)methyl]-2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine
CID 23172546
N-[(2,3-dimethylphenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639268
N-[(2,3-dimethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103614549
N-[(2,3-dimethylphenyl)methyl]-2-prop-2-enylsulfanylethanamine;hydrochloride
CID 115615243
2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43778380

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine (CID 60956458) is N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine is CCOCCNCc1cccc(C)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine?
The InChIKey is BWNUQMNADUMENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-15-9-8-14-10-13-7-5-6-11(2)12(13)3/h5-7,14H,4,8-10H2,1-3H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine?
N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine is sourced from PubChem (CID 60956458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).