1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine

C15H25NO — CID 155456372

IUPAC1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine
SMILESCC(C)c1cccc(C(C)C)c1OCN(C)C
InChIInChI=1S/C15H25NO/c1-11(2)13-8-7-9-14(12(3)4)15(13)17-10-16(5)6/h7-9,11-12H,10H2,1-6H3
InChIKeyKCPFGBOYSCQQFQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.83
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine

1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine (PubChem CID 155456372) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine
PubChem CID155456372
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine
SMILESCC(C)c1cccc(C(C)C)c1OCN(C)C
InChIInChI=1S/C15H25NO/c1-11(2)13-8-7-9-14(12(3)4)15(13)17-10-16(5)6/h7-9,11-12H,10H2,1-6H3
InChIKeyKCPFGBOYSCQQFQ-UHFFFAOYSA-N
XLogP3.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine
CID 2182838
1,3-di(propan-2-yl)-2-propoxybenzene
CID 59277560
1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
CID 19774059
N,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine
CID 20679121
2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene
CID 134985935
1-ethoxy-5-propan-2-ylnaphthalene
CID 176668059
1-[2,6-di(propan-2-yl)phenoxy]butan-2-one
CID 62039580
2-(4-chlorobut-2-enoxy)-1,3-di(propan-2-yl)benzene
CID 77051114
1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
CID 170547313
4-[2,6-di(propan-2-yl)phenoxy]butyl-diethylazanium
CID 2250093
1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane
CID 67998176

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine (CID 155456372) is 1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine is CC(C)c1cccc(C(C)C)c1OCN(C)C.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine?
The InChIKey is KCPFGBOYSCQQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)13-8-7-9-14(12(3)4)15(13)17-10-16(5)6/h7-9,11-12H,10H2,1-6H3.
What are the key properties of 1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine?
1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine is sourced from PubChem (CID 155456372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).