N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine

C15H26N2O — CID 115227492

IUPACN'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine
SMILESCCOc1ccc(C(C)(C)CNCNC)cc1C
InChIInChI=1S/C15H26N2O/c1-6-18-14-8-7-13(9-12(14)2)15(3,4)10-17-11-16-5/h7-9,16-17H,6,10-11H2,1-5H3
InChIKeyDTDOMFGKHFITSK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.44
Rot. Bonds7

About N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine

N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine (PubChem CID 115227492) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine
PubChem CID115227492
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine
SMILESCCOc1ccc(C(C)(C)CNCNC)cc1C
InChIInChI=1S/C15H26N2O/c1-6-18-14-8-7-13(9-12(14)2)15(3,4)10-17-11-16-5/h7-9,16-17H,6,10-11H2,1-5H3
InChIKeyDTDOMFGKHFITSK-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 115215303
N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide
CID 115191437
N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227480
[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea
CID 115168787
N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227470
N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 115195723
[2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid
CID 115171411
N-(chloromethyl)-2-(3,4-dimethylphenyl)-2-methylpropan-1-amine
CID 115263613
4-ethoxy-N-ethyl-3-methylaniline
CID 82490653
N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine
CID 115227465
2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine
CID 81020856
5-tert-butyl-2-ethoxy-N-methylaniline
CID 82264357

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine?
The IUPAC name of N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine (CID 115227492) is N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine.
What is the SMILES notation for N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine?
The canonical SMILES for N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine is CCOc1ccc(C(C)(C)CNCNC)cc1C.
What is the InChIKey of N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine?
The InChIKey is DTDOMFGKHFITSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-18-14-8-7-13(9-12(14)2)15(3,4)10-17-11-16-5/h7-9,16-17H,6,10-11H2,1-5H3.
What are the key properties of N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine?
N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine has a molecular weight of 250.39 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine is sourced from PubChem (CID 115227492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).