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

C17H29NO — CID 79626726

IUPAC2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
SMILESCCCNCC(C)(C)COc1cc(C)cc(C)c1C
InChIInChI=1S/C17H29NO/c1-7-8-18-11-17(5,6)12-19-16-10-13(2)9-14(3)15(16)4/h9-10,18H,7-8,11-12H2,1-6H3
InChIKeyVEDCDUNYZLLGRQ-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.02
Rot. Bonds7

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

2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine (PubChem CID 79626726) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
PubChem CID79626726
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
SMILESCCCNCC(C)(C)COc1cc(C)cc(C)c1C
InChIInChI=1S/C17H29NO/c1-7-8-18-11-17(5,6)12-19-16-10-13(2)9-14(3)15(16)4/h9-10,18H,7-8,11-12H2,1-6H3
InChIKeyVEDCDUNYZLLGRQ-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine (CID 79626726) is 2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine is CCCNCC(C)(C)COc1cc(C)cc(C)c1C.
What is the InChIKey of 2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine?
The InChIKey is VEDCDUNYZLLGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-8-18-11-17(5,6)12-19-16-10-13(2)9-14(3)15(16)4/h9-10,18H,7-8,11-12H2,1-6H3.
What are the key properties of 2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine?
2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine is sourced from PubChem (CID 79626726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).