2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine

C16H27NO — CID 117377712

IUPAC2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine
SMILESCCc1cc(C(C)(C)C)c(OC)c(C(C)(C)N)c1
InChIInChI=1S/C16H27NO/c1-8-11-9-12(15(2,3)4)14(18-7)13(10-11)16(5,6)17/h9-10H,8,17H2,1-7H3
InChIKeyFLLAEMXYQMFFBR-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.75
Rot. Bonds3

About 2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine

2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine (PubChem CID 117377712) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine
PubChem CID117377712
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine
SMILESCCc1cc(C(C)(C)C)c(OC)c(C(C)(C)N)c1
InChIInChI=1S/C16H27NO/c1-8-11-9-12(15(2,3)4)14(18-7)13(10-11)16(5,6)17/h9-10H,8,17H2,1-7H3
InChIKeyFLLAEMXYQMFFBR-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane
CID 143616670
2-(3-chloro-5-ethyl-2-methoxyphenyl)propan-2-amine
CID 117327991
1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
CID 117413884
3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol
CID 117379902
1-[1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117441175
2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine
CID 117306665
3-(3,5-ditert-butyl-4-methoxyphenyl)propanethioamide
CID 83938576
1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol
CID 83938613
3-(3,5-ditert-butyl-4-methoxyphenyl)-2-methylpropanethioamide
CID 83938578
(2,6-ditert-butyl-4-ethylphenyl)hydrazine
CID 152658063
(3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane
CID 174881075
CID 58741303
CID 58741303

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine?
The IUPAC name of 2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine (CID 117377712) is 2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine is CCc1cc(C(C)(C)C)c(OC)c(C(C)(C)N)c1.
What is the InChIKey of 2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine?
The InChIKey is FLLAEMXYQMFFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-8-11-9-12(15(2,3)4)14(18-7)13(10-11)16(5,6)17/h9-10H,8,17H2,1-7H3.
What are the key properties of 2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine?
2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 117377712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).