1-(3-tert-butyl-2-methoxy-6-methylphenyl)ethanamine

C14H23NO — CID 117317113

IUPAC1-(3-tert-butyl-2-methoxy-6-methylphenyl)ethanamine
SMILESCOc1c(C(C)(C)C)ccc(C)c1C(C)N
InChIInChI=1S/C14H23NO/c1-9-7-8-11(14(3,4)5)13(16-6)12(9)10(2)15/h7-8,10H,15H2,1-6H3
InChIKeySZWXUSDSCBEXEJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.32
Rot. Bonds2

About 1-(3-tert-butyl-2-methoxy-6-methylphenyl)ethanamine

1-(3-tert-butyl-2-methoxy-6-methylphenyl)ethanamine (PubChem CID 117317113) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3-tert-butyl-2-methoxy-6-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-2-methoxy-6-methylphenyl)ethanamine
PubChem CID117317113
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3-tert-butyl-2-methoxy-6-methylphenyl)ethanamine
SMILESCOc1c(C(C)(C)C)ccc(C)c1C(C)N
InChIInChI=1S/C14H23NO/c1-9-7-8-11(14(3,4)5)13(16-6)12(9)10(2)15/h7-8,10H,15H2,1-6H3
InChIKeySZWXUSDSCBEXEJ-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(3-tert-butyl-2-methoxy-6-methylphenyl)propanoic acid
CID 117417739
1-tert-butyl-2-methoxy-3,4-dimethylbenzene;propane;hydrate
CID 176957976
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
3-amino-3-[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]propanoic acid
CID 117435438
4-tert-butyl-3-methoxybenzene-1,2-diamine
CID 141404222
1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84706950
1-(2-methoxy-3,6-dimethylphenyl)ethanol
CID 117278453
1-tert-butyl-2-methoxy-3-propan-2-ylbenzene
CID 58817173
2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine
CID 117408578
(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636
2-tert-butyl-1-methoxynaphthalene
CID 169287795
3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine
CID 117372004

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-2-methoxy-6-methylphenyl)ethanamine?
The IUPAC name of 1-(3-tert-butyl-2-methoxy-6-methylphenyl)ethanamine (CID 117317113) is 1-(3-tert-butyl-2-methoxy-6-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-tert-butyl-2-methoxy-6-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-tert-butyl-2-methoxy-6-methylphenyl)ethanamine is COc1c(C(C)(C)C)ccc(C)c1C(C)N.
What is the InChIKey of 1-(3-tert-butyl-2-methoxy-6-methylphenyl)ethanamine?
The InChIKey is SZWXUSDSCBEXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9-7-8-11(14(3,4)5)13(16-6)12(9)10(2)15/h7-8,10H,15H2,1-6H3.
What are the key properties of 1-(3-tert-butyl-2-methoxy-6-methylphenyl)ethanamine?
1-(3-tert-butyl-2-methoxy-6-methylphenyl)ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-2-methoxy-6-methylphenyl)ethanamine is sourced from PubChem (CID 117317113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).