(1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine

C15H25NO — CID 78946993

IUPAC(1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine
SMILESCc1ccc([C@@H](C)N)c(OCCC(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-11-6-7-13(12(2)16)14(10-11)17-9-8-15(3,4)5/h6-7,10,12H,8-9,16H2,1-5H3/t12-/m1/s1
InChIKeyGVROFKIVKMGNPO-GFCCVEGCSA-N
MW235.37 g/mol
LogP3.83
Rot. Bonds4

About (1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine

(1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine (PubChem CID 78946993) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine
PubChem CID78946993
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine
SMILESCc1ccc([C@@H](C)N)c(OCCC(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-11-6-7-13(12(2)16)14(10-11)17-9-8-15(3,4)5/h6-7,10,12H,8-9,16H2,1-5H3/t12-/m1/s1
InChIKeyGVROFKIVKMGNPO-GFCCVEGCSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine 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

(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
(1S)-1-[2-(2-tert-butylsulfanylethoxy)-4-methylphenyl]ethanamine
CID 114271257
(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
CID 104647105
1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine
CID 61481627
(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine
CID 63639630
2-[2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]ethoxy]ethanol
CID 63650862
2-[2-[2-(1-aminoethyl)-5-methylphenoxy]ethoxy]ethanol
CID 63639091
(1S)-1-[4-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]ethanamine
CID 104891255
(1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
CID 63639457
(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine
CID 78947289
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol
CID 79356014

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine (CID 78946993) is (1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine is Cc1ccc([C@@H](C)N)c(OCCC(C)(C)C)c1.
What is the InChIKey of (1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine?
The InChIKey is GVROFKIVKMGNPO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-6-7-13(12(2)16)14(10-11)17-9-8-15(3,4)5/h6-7,10,12H,8-9,16H2,1-5H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine?
(1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine is sourced from PubChem (CID 78946993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).