N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine

C15H26N2O — CID 115195388

IUPACN'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1ccc(CCNCCN)cc1C(C)(C)C
InChIInChI=1S/C15H26N2O/c1-15(2,3)13-11-12(5-6-14(13)18-4)7-9-17-10-8-16/h5-6,11,17H,7-10,16H2,1-4H3
InChIKeyWYSIWDJOEURLQI-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.08
Rot. Bonds6

About N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine

N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine (PubChem CID 115195388) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine
PubChem CID115195388
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1ccc(CCNCCN)cc1C(C)(C)C
InChIInChI=1S/C15H26N2O/c1-15(2,3)13-11-12(5-6-14(13)18-4)7-9-17-10-8-16/h5-6,11,17H,7-10,16H2,1-4H3
InChIKeyWYSIWDJOEURLQI-UHFFFAOYSA-N
XLogP2.08
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-tert-butyl-4-methoxyphenyl)-N-(methoxymethyl)ethanamine
CID 115258824
2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine
CID 94684195
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
1-[2-(3-tert-butyl-4-methoxyphenyl)ethylamino]propan-2-one
CID 115234974
N'-[2-(3-bromo-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195398
4-(2-bromoethyl)-2-tert-butyl-1-methoxybenzene
CID 82488264
2-(3-tert-butyl-4-methoxyphenyl)ethylcarbamothioic S-acid
CID 115170243
N'-[2-(3-chloro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 115197303
N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine
CID 115226184
3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1-thiol
CID 115224842
N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine
CID 115195374
2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine
CID 84681003

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine (CID 115195388) is N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine is COc1ccc(CCNCCN)cc1C(C)(C)C.
What is the InChIKey of N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is WYSIWDJOEURLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,3)13-11-12(5-6-14(13)18-4)7-9-17-10-8-16/h5-6,11,17H,7-10,16H2,1-4H3.
What are the key properties of N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine?
N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 115195388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).