N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline

C16H20N2O — CID 115211777

IUPACN-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline
SMILESCCOc1ccc(NCc2cccc(N)c2)cc1C
InChIInChI=1S/C16H20N2O/c1-3-19-16-8-7-15(9-12(16)2)18-11-13-5-4-6-14(17)10-13/h4-10,18H,3,11,17H2,1-2H3
InChIKeyDGXSKGCLJURHOO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.59
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline

N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline (PubChem CID 115211777) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline
PubChem CID115211777
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline
SMILESCCOc1ccc(NCc2cccc(N)c2)cc1C
InChIInChI=1S/C16H20N2O/c1-3-19-16-8-7-15(9-12(16)2)18-11-13-5-4-6-14(17)10-13/h4-10,18H,3,11,17H2,1-2H3
InChIKeyDGXSKGCLJURHOO-UHFFFAOYSA-N
XLogP3.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(3-ethoxyanilino)methyl]aniline
CID 83961381
4-ethoxy-N-ethyl-3-methylaniline
CID 82490653
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine
CID 20542479
3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43729859
4-ethoxy-3-fluoro-N-[(3-methylphenyl)methyl]aniline
CID 115587227
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine;hydrochloride
CID 70546095
N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 115204209
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
CID 28609770
2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine
CID 115125939
N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline
CID 115211768
N-[(3-bromophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 43729850
3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 60935106

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline?
The IUPAC name of N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline (CID 115211777) is N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline?
The canonical SMILES for N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline is CCOc1ccc(NCc2cccc(N)c2)cc1C.
What is the InChIKey of N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline?
The InChIKey is DGXSKGCLJURHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-19-16-8-7-15(9-12(16)2)18-11-13-5-4-6-14(17)10-13/h4-10,18H,3,11,17H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline?
N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline has a molecular weight of 256.35 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline is sourced from PubChem (CID 115211777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).