(1R)-N'-ethoxy-1-(4-methylphenyl)ethane-1,2-diamine

C11H18N2O — CID 163787468

IUPAC(1R)-N'-ethoxy-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCCONC[C@H](N)c1ccc(C)cc1
InChIInChI=1S/C11H18N2O/c1-3-14-13-8-11(12)10-6-4-9(2)5-7-10/h4-7,11,13H,3,8,12H2,1-2H3/t11-/m0/s1
InChIKeyMTTYITSACMDLBB-NSHDSACASA-N
MW194.28 g/mol
LogP1.54
Rot. Bonds5

About (1R)-N'-ethoxy-1-(4-methylphenyl)ethane-1,2-diamine

(1R)-N'-ethoxy-1-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 163787468) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1R)-N'-ethoxy-1-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N'-ethoxy-1-(4-methylphenyl)ethane-1,2-diamine
PubChem CID163787468
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1R)-N'-ethoxy-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCCONC[C@H](N)c1ccc(C)cc1
InChIInChI=1S/C11H18N2O/c1-3-14-13-8-11(12)10-6-4-9(2)5-7-10/h4-7,11,13H,3,8,12H2,1-2H3/t11-/m0/s1
InChIKeyMTTYITSACMDLBB-NSHDSACASA-N
XLogP1.54
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
3-ethoxy-1-(4-methylphenyl)propan-1-amine
CID 115601658
1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 106313152
N-[3-(ethoxyamino)-2-(4-methylphenyl)propyl]-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 162555446
N'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313190
N'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313130
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine
CID 104560552
methyl 3-amino-3-(4-methylphenyl)propanoate
CID 2769473
2-ethylsulfonyl-1-(4-methylphenyl)ethanamine
CID 64646967
N'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313172
(3R)-3-amino-3-(4-methylphenyl)propane-1,1-diol
CID 163794645

Frequently Asked Questions

What is the IUPAC name of (1R)-N'-ethoxy-1-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-N'-ethoxy-1-(4-methylphenyl)ethane-1,2-diamine (CID 163787468) is (1R)-N'-ethoxy-1-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-N'-ethoxy-1-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-N'-ethoxy-1-(4-methylphenyl)ethane-1,2-diamine is CCONC[C@H](N)c1ccc(C)cc1.
What is the InChIKey of (1R)-N'-ethoxy-1-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is MTTYITSACMDLBB-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-14-13-8-11(12)10-6-4-9(2)5-7-10/h4-7,11,13H,3,8,12H2,1-2H3/t11-/m0/s1.
What are the key properties of (1R)-N'-ethoxy-1-(4-methylphenyl)ethane-1,2-diamine?
(1R)-N'-ethoxy-1-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N'-ethoxy-1-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 163787468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).