N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine

C15H26N2O — CID 107446264

IUPACN'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine
SMILESCOCCc1ccccc1NCCNC(C)(C)C
InChIInChI=1S/C15H26N2O/c1-15(2,3)17-11-10-16-14-8-6-5-7-13(14)9-12-18-4/h5-8,16-17H,9-12H2,1-4H3
InChIKeyLXVGXDNQPFHOHQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.68
Rot. Bonds7

About N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine

N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine (PubChem CID 107446264) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine
PubChem CID107446264
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine
SMILESCOCCc1ccccc1NCCNC(C)(C)C
InChIInChI=1S/C15H26N2O/c1-15(2,3)17-11-10-16-14-8-6-5-7-13(14)9-12-18-4/h5-8,16-17H,9-12H2,1-4H3
InChIKeyLXVGXDNQPFHOHQ-UHFFFAOYSA-N
XLogP2.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.68
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-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 102847349
N-(2-cyclopropylethyl)-2-(2-methoxyethyl)aniline
CID 102847355
3-[2-(2-methoxyethyl)anilino]propan-1-ol
CID 102847222
N-[2-[2-(2-methoxyethyl)anilino]ethyl]acetamide
CID 107530128
N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline
CID 102903791
N'-tert-butyl-N-[2-(diethylaminomethyl)phenyl]ethane-1,2-diamine
CID 107445154
1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol
CID 102905135
2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905071
2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
2-[2-(2-methoxyethyl)anilino]-N-propylacetamide
CID 102847374
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
CID 102847298
2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
CID 103268818

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine (CID 107446264) is N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine is COCCc1ccccc1NCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine?
The InChIKey is LXVGXDNQPFHOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,3)17-11-10-16-14-8-6-5-7-13(14)9-12-18-4/h5-8,16-17H,9-12H2,1-4H3.
What are the key properties of N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine?
N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 107446264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).