2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;N-(2-ethyl-6-methylphenyl)-1-methoxypropan-2-imine;molecular hydrogen

C26H42N2O2 — CID 158531933

IUPAC2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;N-(2-ethyl-6-methylphenyl)-1-methoxypropan-2-imine;molecular hydrogen
SMILESCCc1cccc(C)c1/N=C(\C)COC.CCc1cccc(C)c1NC(C)COC.[H][H]
InChIInChI=1S/C13H21NO.C13H19NO.H2/c2*1-5-12-8-6-7-10(2)13(12)14-11(3)9-15-4;/h6-8,11,14H,5,9H2,1-4H3;6-8H,5,9H2,1-4H3;1H/b;14-11+;
InChIKeyHNMDBZOFGRYMGC-KRIRFGODSA-N
MW414.63 g/mol
LogP6.55
Rot. Bonds9

About 2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;N-(2-ethyl-6-methylphenyl)-1-methoxypropan-2-imine;molecular hydrogen

2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;N-(2-ethyl-6-methylphenyl)-1-methoxypropan-2-imine;molecular hydrogen (PubChem CID 158531933) has the molecular formula C26H42N2O2 and a molecular weight of 414.63 g/mol. Its IUPAC name is 2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;N-(2-ethyl-6-methylphenyl)-1-methoxypropan-2-imine;molecular hydrogen.

Molecular Properties

Compound Name2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;N-(2-ethyl-6-methylphenyl)-1-methoxypropan-2-imine;molecular hydrogen
PubChem CID158531933
Molecular FormulaC26H42N2O2
Molecular Weight414.63 g/mol
Exact Mass414.32
IUPAC Name2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;N-(2-ethyl-6-methylphenyl)-1-methoxypropan-2-imine;molecular hydrogen
SMILESCCc1cccc(C)c1/N=C(\C)COC.CCc1cccc(C)c1NC(C)COC.[H][H]
InChIInChI=1S/C13H21NO.C13H19NO.H2/c2*1-5-12-8-6-7-10(2)13(12)14-11(3)9-15-4;/h6-8,11,14H,5,9H2,1-4H3;6-8H,5,9H2,1-4H3;1H/b;14-11+;
InChIKeyHNMDBZOFGRYMGC-KRIRFGODSA-N
XLogP6.55
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.63
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,6-diethyl-N-(1-methoxypropan-2-yl)aniline
CID 15051296
N-(1-methoxypropan-2-yl)-2,6-dimethylaniline
CID 10899497
2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline
CID 66251264
2-ethyl-N-(3-methoxy-2-methylpropyl)-6-methylaniline
CID 116501156
3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 90001609
2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide
CID 70010696
2-(2,6-diethylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 62328026
butyl 2-(2-ethyl-6-methylanilino)propanoate
CID 20574885
N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 11831821
N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54809654
N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline
CID 63448610
N-(2-ethyl-6-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106555375

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;N-(2-ethyl-6-methylphenyl)-1-methoxypropan-2-imine;molecular hydrogen?
The IUPAC name of 2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;N-(2-ethyl-6-methylphenyl)-1-methoxypropan-2-imine;molecular hydrogen (CID 158531933) is 2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;N-(2-ethyl-6-methylphenyl)-1-methoxypropan-2-imine;molecular hydrogen.
What is the SMILES notation for 2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;N-(2-ethyl-6-methylphenyl)-1-methoxypropan-2-imine;molecular hydrogen?
The canonical SMILES for 2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;N-(2-ethyl-6-methylphenyl)-1-methoxypropan-2-imine;molecular hydrogen is CCc1cccc(C)c1/N=C(\C)COC.CCc1cccc(C)c1NC(C)COC.[H][H].
What is the InChIKey of 2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;N-(2-ethyl-6-methylphenyl)-1-methoxypropan-2-imine;molecular hydrogen?
The InChIKey is HNMDBZOFGRYMGC-KRIRFGODSA-N. The full InChI is InChI=1S/C13H21NO.C13H19NO.H2/c2*1-5-12-8-6-7-10(2)13(12)14-11(3)9-15-4;/h6-8,11,14H,5,9H2,1-4H3;6-8H,5,9H2,1-4H3;1H/b;14-11+;.
What are the key properties of 2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;N-(2-ethyl-6-methylphenyl)-1-methoxypropan-2-imine;molecular hydrogen?
2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;N-(2-ethyl-6-methylphenyl)-1-methoxypropan-2-imine;molecular hydrogen has a molecular weight of 414.63 g/mol, XLogP of 6.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;N-(2-ethyl-6-methylphenyl)-1-methoxypropan-2-imine;molecular hydrogen is sourced from PubChem (CID 158531933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).