3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine

C13H17NO — CID 60801175

IUPAC3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine
SMILESCCC(C)Oc1cccc(C#CCN)c1
InChIInChI=1S/C13H17NO/c1-3-11(2)15-13-8-4-6-12(10-13)7-5-9-14/h4,6,8,10-11H,3,9,14H2,1-2H3
InChIKeyFWKKJZAMTMLWKO-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.17
Rot. Bonds3

About 3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine

3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine (PubChem CID 60801175) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine
PubChem CID60801175
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine
SMILESCCC(C)Oc1cccc(C#CCN)c1
InChIInChI=1S/C13H17NO/c1-3-11(2)15-13-8-4-6-12(10-13)7-5-9-14/h4,6,8,10-11H,3,9,14H2,1-2H3
InChIKeyFWKKJZAMTMLWKO-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-butan-2-yloxyphenyl)but-3-yn-1-ol
CID 60802171
3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride
CID 75365696
N-[2-[3-(3-aminoprop-1-ynyl)phenoxy]ethyl]-N-ethyl-2-methylbutan-1-amine
CID 79481759
3-(1-aminopropan-2-yloxy)benzonitrile
CID 82224541
4-[3-(4-methylpentan-2-yloxy)phenyl]but-3-yn-1-ol
CID 114284916
(1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine
CID 28744549
3-(6-propan-2-yloxynaphthalen-2-yl)prop-2-yn-1-amine
CID 54995869
3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60801178
3-butan-2-yloxybenzenediazonium
CID 82972983
3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine
CID 141378858
3-[3-(2-propylsulfonylethoxy)phenyl]prop-2-yn-1-amine
CID 106728270
3-[3-(4,4-dimethylpentoxy)phenyl]prop-2-yn-1-amine
CID 114210068

Frequently Asked Questions

What is the IUPAC name of 3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine?
The IUPAC name of 3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine (CID 60801175) is 3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine.
What is the SMILES notation for 3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine?
The canonical SMILES for 3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine is CCC(C)Oc1cccc(C#CCN)c1.
What is the InChIKey of 3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine?
The InChIKey is FWKKJZAMTMLWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-11(2)15-13-8-4-6-12(10-13)7-5-9-14/h4,6,8,10-11H,3,9,14H2,1-2H3.
What are the key properties of 3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine?
3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine is sourced from PubChem (CID 60801175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).