N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine

C14H24N2O — CID 98784055

IUPACN'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1ccc(C(C)C)cc1OC
InChIInChI=1S/C14H24N2O/c1-11(2)12-6-7-13(14(10-12)17-5)16(4)9-8-15-3/h6-7,10-11,15H,8-9H2,1-5H3
InChIKeyGVKLEPJQJXBORM-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.47
Rot. Bonds6

About N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine

N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 98784055) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID98784055
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1ccc(C(C)C)cc1OC
InChIInChI=1S/C14H24N2O/c1-11(2)12-6-7-13(14(10-12)17-5)16(4)9-8-15-3/h6-7,10-11,15H,8-9H2,1-5H3
InChIKeyGVKLEPJQJXBORM-UHFFFAOYSA-N
XLogP2.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-methoxy-4-propan-2-ylphenyl)-N'-methylbutane-1,4-diamine
CID 115201118
2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde
CID 115222785
N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine
CID 115201692
N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96674694
2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline
CID 70881827
2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208694
N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 115197846
2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide
CID 115179737
2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile
CID 115129156
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151969
N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
CID 115261259

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine (CID 98784055) is N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1ccc(C(C)C)cc1OC.
What is the InChIKey of N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is GVKLEPJQJXBORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)12-6-7-13(14(10-12)17-5)16(4)9-8-15-3/h6-7,10-11,15H,8-9H2,1-5H3.
What are the key properties of N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine?
N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 98784055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).