1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine

C15H26N2O — CID 116947893

IUPAC1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCC(NC)c1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C15H26N2O/c1-15(2,3)11-7-8-14(18-6)12(9-11)13(17-5)10-16-4/h7-9,13,16-17H,10H2,1-6H3
InChIKeyIBORYBPDNPALMP-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.47
Rot. Bonds5

About 1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine

1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 116947893) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID116947893
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCC(NC)c1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C15H26N2O/c1-15(2,3)11-7-8-14(18-6)12(9-11)13(17-5)10-16-4/h7-9,13,16-17H,10H2,1-6H3
InChIKeyIBORYBPDNPALMP-UHFFFAOYSA-N
XLogP2.47
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 116933842
1-(5-tert-butyl-2-methoxyphenyl)-2-(methylamino)butan-1-ol
CID 82315534
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
1-(5-tert-butyl-2-methoxyphenyl)ethanethiol
CID 116866684
3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol
CID 83921064
1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol
CID 112510982
1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol
CID 117473718
amino-(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 116939444
1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine
CID 82262287
(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 83533648
1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914596
2-amino-2-(5-tert-butyl-2-methoxyphenyl)-N-methylacetamide
CID 116850378

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine (CID 116947893) is 1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine is CNCC(NC)c1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is IBORYBPDNPALMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,3)11-7-8-14(18-6)12(9-11)13(17-5)10-16-4/h7-9,13,16-17H,10H2,1-6H3.
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine?
1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 116947893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).