N,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine

C15H25NO — CID 62353838

IUPACN,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine
SMILESCCC(C)(CNC)Oc1cc(C)cc(C)c1C
InChIInChI=1S/C15H25NO/c1-7-15(5,10-16-6)17-14-9-11(2)8-12(3)13(14)4/h8-9,16H,7,10H2,1-6H3
InChIKeyQGLQDDXHRJVZOY-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.38
Rot. Bonds5

About N,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine

N,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine (PubChem CID 62353838) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine
PubChem CID62353838
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine
SMILESCCC(C)(CNC)Oc1cc(C)cc(C)c1C
InChIInChI=1S/C15H25NO/c1-7-15(5,10-16-6)17-14-9-11(2)8-12(3)13(14)4/h8-9,16H,7,10H2,1-6H3
InChIKeyQGLQDDXHRJVZOY-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-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

2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine
CID 62352480
N,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine
CID 63489021
N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine
CID 62484244
2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
CID 79626726
2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine
CID 62353436
N-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine
CID 62485666
methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate
CID 64707715
2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol
CID 11775739
2-(3-chloro-4-fluorophenoxy)-N,2-dimethylbutan-1-amine
CID 63878844
N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine
CID 55092742
N,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 62353843
2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonyl chloride
CID 65004130

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine?
The IUPAC name of N,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine (CID 62353838) is N,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine?
The canonical SMILES for N,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine is CCC(C)(CNC)Oc1cc(C)cc(C)c1C.
What is the InChIKey of N,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine?
The InChIKey is QGLQDDXHRJVZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-7-15(5,10-16-6)17-14-9-11(2)8-12(3)13(14)4/h8-9,16H,7,10H2,1-6H3.
What are the key properties of N,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine?
N,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine is sourced from PubChem (CID 62353838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).