N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine

C16H28N2O — CID 115205811

IUPACN'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
SMILESCCNCCNCc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C16H28N2O/c1-6-17-9-10-18-12-13-11-14(16(2,3)4)7-8-15(13)19-5/h7-8,11,17-18H,6,9-10,12H2,1-5H3
InChIKeyBNRJLLNWSWVSDH-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.69
Rot. Bonds7

About N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine

N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine (PubChem CID 115205811) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
PubChem CID115205811
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
SMILESCCNCCNCc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C16H28N2O/c1-6-17-9-10-18-12-13-11-14(16(2,3)4)7-8-15(13)19-5/h7-8,11,17-18H,6,9-10,12H2,1-5H3
InChIKeyBNRJLLNWSWVSDH-UHFFFAOYSA-N
XLogP2.69
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.69
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-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol
CID 94687236
N-(bromomethyl)-1-(5-tert-butyl-2-methoxyphenyl)methanamine
CID 115261853
5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine
CID 70956835
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]butane-1,4-diamine
CID 115201190
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205817
1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine
CID 117320541
N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115205818
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 83533648
N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine
CID 82552100
2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide
CID 116843348
N'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205877

Frequently Asked Questions

What is the IUPAC name of N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine?
The IUPAC name of N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine (CID 115205811) is N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine is CCNCCNCc1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine?
The InChIKey is BNRJLLNWSWVSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-17-9-10-18-12-13-11-14(16(2,3)4)7-8-15(13)19-5/h7-8,11,17-18H,6,9-10,12H2,1-5H3.
What are the key properties of N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine?
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.69, 7 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)methyl]-N-ethylethane-1,2-diamine is sourced from PubChem (CID 115205811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).