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

C13H22N2O — CID 96672535

IUPACN'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(C)(C)C)cc1NCCN
InChIInChI=1S/C13H22N2O/c1-13(2,3)10-5-6-12(16-4)11(9-10)15-8-7-14/h5-6,9,15H,7-8,14H2,1-4H3
InChIKeyMRHBAFJJYJESBD-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.36
Rot. Bonds4

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

N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine (PubChem CID 96672535) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine
PubChem CID96672535
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(C)(C)C)cc1NCCN
InChIInChI=1S/C13H22N2O/c1-13(2,3)10-5-6-12(16-4)11(9-10)15-8-7-14/h5-6,9,15H,7-8,14H2,1-4H3
InChIKeyMRHBAFJJYJESBD-UHFFFAOYSA-N
XLogP2.36
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine
CID 115200968
3-(5-tert-butyl-2-methoxyanilino)propane-1-thiol
CID 115224564
1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine
CID 115196249
N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
CID 115206704
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
2-(5-tert-butyl-2-methoxyphenoxy)ethanamine
CID 96672636
N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide
CID 6470554
5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline
CID 55162228
5-chloro-N-(2-fluoroethyl)-2-methoxyaniline
CID 80700235
5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 63426533
5-tert-butyl-2-methoxy-N-(1H-pyrrol-2-ylmethyl)aniline
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N'-[(5-tert-butyl-2-methoxyphenyl)methyl]butane-1,4-diamine
CID 115201190

Frequently Asked Questions

What is the IUPAC name of N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine (CID 96672535) is N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine is COc1ccc(C(C)(C)C)cc1NCCN.
What is the InChIKey of N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is MRHBAFJJYJESBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,3)10-5-6-12(16-4)11(9-10)15-8-7-14/h5-6,9,15H,7-8,14H2,1-4H3.
What are the key properties of N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine?
N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 96672535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).