1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine

C14H24N2O — CID 116932438

IUPAC1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCNCC(N)c1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C14H24N2O/c1-14(2,3)11-8-10(12(15)9-16-4)6-7-13(11)17-5/h6-8,12,16H,9,15H2,1-5H3
InChIKeyLRAVMJUBEXMABM-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.21
Rot. Bonds4

About 1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine

1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine (PubChem CID 116932438) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine
PubChem CID116932438
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCNCC(N)c1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C14H24N2O/c1-14(2,3)11-8-10(12(15)9-16-4)6-7-13(11)17-5/h6-8,12,16H,9,15H2,1-5H3
InChIKeyLRAVMJUBEXMABM-UHFFFAOYSA-N
XLogP2.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
CID 82048896
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939282
amino-(3-tert-butyl-4-methoxyphenyl)methanol
CID 116939595
1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 112510511
1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine
CID 116961454
1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol
CID 112510497
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
3-amino-3-(3-tert-butyl-4-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 116940362
2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol
CID 84694404
2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine
CID 112509381
1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826728
2-[amino-(3-tert-butyl-4-methoxyphenyl)methyl]butanenitrile
CID 116946154

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine (CID 116932438) is 1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine is CNCC(N)c1ccc(OC)c(C(C)(C)C)c1.
What is the InChIKey of 1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is LRAVMJUBEXMABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,3)11-8-10(12(15)9-16-4)6-7-13(11)17-5/h6-8,12,16H,9,15H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine?
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 116932438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).