[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine

C15H25NO2 — CID 106449258

IUPAC[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
SMILESCc1cc(CN)cc(C)c1OCCOCC(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)10-17-5-6-18-15-12(3)7-14(9-16)8-13(15)4/h7-8,11H,5-6,9-10,16H2,1-4H3
InChIKeyJLDNNWCYUSKWRA-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.81
Rot. Bonds7

About [3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine

[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine (PubChem CID 106449258) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is [3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
PubChem CID106449258
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
SMILESCc1cc(CN)cc(C)c1OCCOCC(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)10-17-5-6-18-15-12(3)7-14(9-16)8-13(15)4/h7-8,11H,5-6,9-10,16H2,1-4H3
InChIKeyJLDNNWCYUSKWRA-UHFFFAOYSA-N
XLogP2.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449704
[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 43254178
2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline
CID 106449319
[3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine
CID 114471375
[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine
CID 28967110
1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
CID 106455652
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822
[3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine
CID 107741240
1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene
CID 106458424
1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene
CID 173371935
1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol
CID 114491500
1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine
CID 103181855

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine (CID 106449258) is [3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine is Cc1cc(CN)cc(C)c1OCCOCC(C)C.
What is the InChIKey of [3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine?
The InChIKey is JLDNNWCYUSKWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)10-17-5-6-18-15-12(3)7-14(9-16)8-13(15)4/h7-8,11H,5-6,9-10,16H2,1-4H3.
What are the key properties of [3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine?
[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 106449258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).