5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-amine

C17H29NO — CID 63460817

IUPAC5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-amine
SMILESCCC(N)C(Oc1cc(C)cc(C)c1C)C(C)(C)C
InChIInChI=1S/C17H29NO/c1-8-14(18)16(17(5,6)7)19-15-10-11(2)9-12(3)13(15)4/h9-10,14,16H,8,18H2,1-7H3
InChIKeyBSRNGDWMRNLIJE-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.14
Rot. Bonds4

About 5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-amine

5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-amine (PubChem CID 63460817) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-amine
PubChem CID63460817
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-amine
SMILESCCC(N)C(Oc1cc(C)cc(C)c1C)C(C)(C)C
InChIInChI=1S/C17H29NO/c1-8-14(18)16(17(5,6)7)19-15-10-11(2)9-12(3)13(15)4/h9-10,14,16H,8,18H2,1-7H3
InChIKeyBSRNGDWMRNLIJE-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-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-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol
CID 11775739
4-(3,5-difluorophenoxy)-5,5-dimethylhexan-3-amine
CID 62784471
4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine
CID 55143417
4-(2-butan-2-ylphenoxy)-5,5-dimethylhexan-3-amine
CID 63456805
N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine
CID 62484244
4-(4-chloro-3-ethylphenoxy)-5,5-dimethylhexan-3-amine
CID 63459202
1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol
CID 64812758
(3S)-4-methoxy-5,5-dimethylhexan-3-amine
CID 104932286
(1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine
CID 103959280
3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine
CID 63496827
1-(3-bromo-2,2-dimethylpropoxy)-2,3,5-trimethylbenzene
CID 64995454
N-ethyl-3-(2,3,5-trimethylphenoxy)heptan-4-amine
CID 63473490

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-amine?
The IUPAC name of 5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-amine (CID 63460817) is 5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-amine.
What is the SMILES notation for 5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-amine?
The canonical SMILES for 5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-amine is CCC(N)C(Oc1cc(C)cc(C)c1C)C(C)(C)C.
What is the InChIKey of 5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-amine?
The InChIKey is BSRNGDWMRNLIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-8-14(18)16(17(5,6)7)19-15-10-11(2)9-12(3)13(15)4/h9-10,14,16H,8,18H2,1-7H3.
What are the key properties of 5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-amine?
5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-amine has a molecular weight of 263.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-(2,3,5-trimethylphenoxy)hexan-3-amine is sourced from PubChem (CID 63460817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).