3-(2-butan-2-yloxy-5-methylphenyl)prop-2-yn-1-amine

C14H19NO — CID 60801033

IUPAC3-(2-butan-2-yloxy-5-methylphenyl)prop-2-yn-1-amine
SMILESCCC(C)Oc1ccc(C)cc1C#CCN
InChIInChI=1S/C14H19NO/c1-4-12(3)16-14-8-7-11(2)10-13(14)6-5-9-15/h7-8,10,12H,4,9,15H2,1-3H3
InChIKeyIGLKEDRIYZGVRC-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.48
Rot. Bonds3

About 3-(2-butan-2-yloxy-5-methylphenyl)prop-2-yn-1-amine

3-(2-butan-2-yloxy-5-methylphenyl)prop-2-yn-1-amine (PubChem CID 60801033) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-(2-butan-2-yloxy-5-methylphenyl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-(2-butan-2-yloxy-5-methylphenyl)prop-2-yn-1-amine
PubChem CID60801033
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-(2-butan-2-yloxy-5-methylphenyl)prop-2-yn-1-amine
SMILESCCC(C)Oc1ccc(C)cc1C#CCN
InChIInChI=1S/C14H19NO/c1-4-12(3)16-14-8-7-11(2)10-13(14)6-5-9-15/h7-8,10,12H,4,9,15H2,1-3H3
InChIKeyIGLKEDRIYZGVRC-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-butan-2-yloxy-5-methylphenyl)prop-2-yn-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

3-[5-methyl-2-(2-methylpropoxy)phenyl]prop-2-yn-1-amine
CID 60801034
3-[2-(2,2-difluoroethoxy)-5-methylphenyl]prop-2-yn-1-amine
CID 60921910
3-(2-heptoxy-5-methylphenyl)prop-2-yn-1-amine
CID 60801193
3-[2-(2-ethylhexoxy)-5-methylphenyl]prop-2-yn-1-amine
CID 63418926
3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60801508
1-butan-2-yloxy-2,4-dimethylbenzene;ethane
CID 142890016
(1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine
CID 63367361
3-[5-(butan-2-yloxymethyl)-2-methoxyphenyl]prop-2-yn-1-amine
CID 54970361
1-butan-2-yloxy-2-fluoro-4-methylbenzene
CID 59391433
2-butan-2-yloxy-1,4-dimethylbenzene
CID 20737129
3-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 54923523
3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-amine
CID 60801205

Frequently Asked Questions

What is the IUPAC name of 3-(2-butan-2-yloxy-5-methylphenyl)prop-2-yn-1-amine?
The IUPAC name of 3-(2-butan-2-yloxy-5-methylphenyl)prop-2-yn-1-amine (CID 60801033) is 3-(2-butan-2-yloxy-5-methylphenyl)prop-2-yn-1-amine.
What is the SMILES notation for 3-(2-butan-2-yloxy-5-methylphenyl)prop-2-yn-1-amine?
The canonical SMILES for 3-(2-butan-2-yloxy-5-methylphenyl)prop-2-yn-1-amine is CCC(C)Oc1ccc(C)cc1C#CCN.
What is the InChIKey of 3-(2-butan-2-yloxy-5-methylphenyl)prop-2-yn-1-amine?
The InChIKey is IGLKEDRIYZGVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-12(3)16-14-8-7-11(2)10-13(14)6-5-9-15/h7-8,10,12H,4,9,15H2,1-3H3.
What are the key properties of 3-(2-butan-2-yloxy-5-methylphenyl)prop-2-yn-1-amine?
3-(2-butan-2-yloxy-5-methylphenyl)prop-2-yn-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butan-2-yloxy-5-methylphenyl)prop-2-yn-1-amine is sourced from PubChem (CID 60801033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).