N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine

C14H24N2O — CID 115227480

IUPACN'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine
SMILESCCOc1ccc(C(C)(C)CNCNC)cc1
InChIInChI=1S/C14H24N2O/c1-5-17-13-8-6-12(7-9-13)14(2,3)10-16-11-15-4/h6-9,15-16H,5,10-11H2,1-4H3
InChIKeyNAOHIZSHMNZLOF-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.13
Rot. Bonds7

About N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine

N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine (PubChem CID 115227480) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine
PubChem CID115227480
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine
SMILESCCOc1ccc(C(C)(C)CNCNC)cc1
InChIInChI=1S/C14H24N2O/c1-5-17-13-8-6-12(7-9-13)14(2,3)10-16-11-15-4/h6-9,15-16H,5,10-11H2,1-4H3
InChIKeyNAOHIZSHMNZLOF-UHFFFAOYSA-N
XLogP2.13
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.13
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-ethoxyphenyl)-2-methylpropan-1-amine
CID 115215295
3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79830478
1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine
CID 115197050
N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227492
2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
CID 62772806
N-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine
CID 115208003
N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine
CID 115227465
N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 62595361
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 79626869
acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
CID 175113858
1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213639

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine?
The IUPAC name of N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine (CID 115227480) is N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine.
What is the SMILES notation for N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine?
The canonical SMILES for N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine is CCOc1ccc(C(C)(C)CNCNC)cc1.
What is the InChIKey of N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine?
The InChIKey is NAOHIZSHMNZLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-17-13-8-6-12(7-9-13)14(2,3)10-16-11-15-4/h6-9,15-16H,5,10-11H2,1-4H3.
What are the key properties of N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine?
N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine has a molecular weight of 236.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine is sourced from PubChem (CID 115227480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).