ethoxy-(2-methylphenyl)methanediamine

C10H16N2O — CID 174810754

IUPACethoxy-(2-methylphenyl)methanediamine
SMILESCCOC(N)(N)c1ccccc1C
InChIInChI=1S/C10H16N2O/c1-3-13-10(11,12)9-7-5-4-6-8(9)2/h4-7H,3,11-12H2,1-2H3
InChIKeyPRYSNVHPKGGSJB-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.06
Rot. Bonds3

About ethoxy-(2-methylphenyl)methanediamine

ethoxy-(2-methylphenyl)methanediamine (PubChem CID 174810754) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is ethoxy-(2-methylphenyl)methanediamine.

Molecular Properties

Compound Nameethoxy-(2-methylphenyl)methanediamine
PubChem CID174810754
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Nameethoxy-(2-methylphenyl)methanediamine
SMILESCCOC(N)(N)c1ccccc1C
InChIInChI=1S/C10H16N2O/c1-3-13-10(11,12)9-7-5-4-6-8(9)2/h4-7H,3,11-12H2,1-2H3
InChIKeyPRYSNVHPKGGSJB-UHFFFAOYSA-N
XLogP1.06
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-ethoxy-1-(2-methylphenyl)ethyl]-2-methylbenzene
CID 67864270
CID 175290532
CID 175290532
2-ethyl-2-(2-methylphenyl)butan-1-amine
CID 60987168
ethyl 3-amino-3-(2-methylphenyl)butanoate
CID 79849157
2-[(2-methylphenyl)-diphenylmethoxy]ethanamine
CID 67428096
CID 66809567
CID 66809567
ethanamine;1,2-xylene
CID 160781195
1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene
CID 67863752
2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine
CID 116758612
1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene
CID 122489122
2-ethyl-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 62594187
2-ethoxy-2-methyl-1-(2-methylphenyl)propan-1-ol
CID 116713777

Frequently Asked Questions

What is the IUPAC name of ethoxy-(2-methylphenyl)methanediamine?
The IUPAC name of ethoxy-(2-methylphenyl)methanediamine (CID 174810754) is ethoxy-(2-methylphenyl)methanediamine.
What is the SMILES notation for ethoxy-(2-methylphenyl)methanediamine?
The canonical SMILES for ethoxy-(2-methylphenyl)methanediamine is CCOC(N)(N)c1ccccc1C.
What is the InChIKey of ethoxy-(2-methylphenyl)methanediamine?
The InChIKey is PRYSNVHPKGGSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-13-10(11,12)9-7-5-4-6-8(9)2/h4-7H,3,11-12H2,1-2H3.
What are the key properties of ethoxy-(2-methylphenyl)methanediamine?
ethoxy-(2-methylphenyl)methanediamine has a molecular weight of 180.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(2-methylphenyl)methanediamine is sourced from PubChem (CID 174810754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).