4-(ethoxymethoxy)-2-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine

C18H30N2O2 — CID 118311113

IUPAC4-(ethoxymethoxy)-2-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine
SMILESCCOCOc1ccc(N)c(N[C@@H]2C[C@H](C)CC(C)(C)C2)c1
InChIInChI=1S/C18H30N2O2/c1-5-21-12-22-15-6-7-16(19)17(9-15)20-14-8-13(2)10-18(3,4)11-14/h6-7,9,13-14,20H,5,8,10-12,19H2,1-4H3/t13-,14+/m0/s1
InChIKeyYSNCIDXENRDZQB-UONOGXRCSA-N
MW306.45 g/mol
LogP4.27
Rot. Bonds6

About 4-(ethoxymethoxy)-2-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine

4-(ethoxymethoxy)-2-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine (PubChem CID 118311113) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-(ethoxymethoxy)-2-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-(ethoxymethoxy)-2-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine
PubChem CID118311113
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name4-(ethoxymethoxy)-2-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine
SMILESCCOCOc1ccc(N)c(N[C@@H]2C[C@H](C)CC(C)(C)C2)c1
InChIInChI=1S/C18H30N2O2/c1-5-21-12-22-15-6-7-16(19)17(9-15)20-14-8-13(2)10-18(3,4)11-14/h6-7,9,13-14,20H,5,8,10-12,19H2,1-4H3/t13-,14+/m0/s1
InChIKeyYSNCIDXENRDZQB-UONOGXRCSA-N
XLogP4.27
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(ethoxymethoxy)-2-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethoxy)-2-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine?
The IUPAC name of 4-(ethoxymethoxy)-2-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine (CID 118311113) is 4-(ethoxymethoxy)-2-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine.
What is the SMILES notation for 4-(ethoxymethoxy)-2-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine?
The canonical SMILES for 4-(ethoxymethoxy)-2-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine is CCOCOc1ccc(N)c(N[C@@H]2C[C@H](C)CC(C)(C)C2)c1.
What is the InChIKey of 4-(ethoxymethoxy)-2-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine?
The InChIKey is YSNCIDXENRDZQB-UONOGXRCSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-5-21-12-22-15-6-7-16(19)17(9-15)20-14-8-13(2)10-18(3,4)11-14/h6-7,9,13-14,20H,5,8,10-12,19H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of 4-(ethoxymethoxy)-2-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine?
4-(ethoxymethoxy)-2-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine has a molecular weight of 306.45 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethoxy)-2-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine is sourced from PubChem (CID 118311113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).