N'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine

C15H26N2O — CID 107445377

IUPACN'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine
SMILESCCOc1ccc(NCCNC(C)(C)C)c(C)c1
InChIInChI=1S/C15H26N2O/c1-6-18-13-7-8-14(12(2)11-13)16-9-10-17-15(3,4)5/h7-8,11,16-17H,6,9-10H2,1-5H3
InChIKeyARBOUGNLONTHRX-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.19
Rot. Bonds6

About N'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine

N'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine (PubChem CID 107445377) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine
PubChem CID107445377
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine
SMILESCCOc1ccc(NCCNC(C)(C)C)c(C)c1
InChIInChI=1S/C15H26N2O/c1-6-18-13-7-8-14(12(2)11-13)16-9-10-17-15(3,4)5/h7-8,11,16-17H,6,9-10H2,1-5H3
InChIKeyARBOUGNLONTHRX-UHFFFAOYSA-N
XLogP3.19
TPSA33.29 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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60928405
N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807112
[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol
CID 110006558
N-(2,6-dimethylheptan-4-yl)-4-ethoxy-2-methylaniline
CID 63450960
4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865409
4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113247946
N-(4-ethoxy-2-methylphenyl)ethanesulfonamide
CID 61063373
N-(4-ethoxy-2-methylphenyl)methanesulfinamide
CID 145156029
4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline
CID 54865375
4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
CID 54865374
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline
CID 115523834

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine (CID 107445377) is N'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine is CCOc1ccc(NCCNC(C)(C)C)c(C)c1.
What is the InChIKey of N'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine?
The InChIKey is ARBOUGNLONTHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-18-13-7-8-14(12(2)11-13)16-9-10-17-15(3,4)5/h7-8,11,16-17H,6,9-10H2,1-5H3.
What are the key properties of N'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine?
N'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 107445377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).