3-(3-cyclopropyloxyphenyl)-N-methylprop-2-yn-1-amine

C13H15NO — CID 114522393

IUPAC3-(3-cyclopropyloxyphenyl)-N-methylprop-2-yn-1-amine
SMILESCNCC#Cc1cccc(OC2CC2)c1
InChIInChI=1S/C13H15NO/c1-14-9-3-5-11-4-2-6-13(10-11)15-12-7-8-12/h2,4,6,10,12,14H,7-9H2,1H3
InChIKeyZJNYAIPVUGKCBY-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.80
Rot. Bonds3

About 3-(3-cyclopropyloxyphenyl)-N-methylprop-2-yn-1-amine

3-(3-cyclopropyloxyphenyl)-N-methylprop-2-yn-1-amine (PubChem CID 114522393) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(3-cyclopropyloxyphenyl)-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound Name3-(3-cyclopropyloxyphenyl)-N-methylprop-2-yn-1-amine
PubChem CID114522393
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-(3-cyclopropyloxyphenyl)-N-methylprop-2-yn-1-amine
SMILESCNCC#Cc1cccc(OC2CC2)c1
InChIInChI=1S/C13H15NO/c1-14-9-3-5-11-4-2-6-13(10-11)15-12-7-8-12/h2,4,6,10,12,14H,7-9H2,1H3
InChIKeyZJNYAIPVUGKCBY-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.80
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

1-(4-chlorobut-1-ynyl)-3-(4-ethylcyclohexyl)oxybenzene
CID 64774026
3-(3-prop-1-ynylphenoxy)-9-azabicyclo[3.3.1]nonane
CID 66839959
N'-(3-cyclopropyloxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 114522659
(2S)-2-amino-3-methyl-N-[5-(3-piperidin-4-yloxyphenyl)pent-4-ynyl]butanamide
CID 52919592
1-(4-ethylcyclohexyl)oxy-3-fluorobenzene
CID 64766217
3-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
CID 79910942
1-(3-chloroprop-1-ynyl)-3-(cyclobutylmethoxy)benzene
CID 65458621
(3-cyclopropyloxyphenyl)methanol
CID 57336629
1-(3-cyclopropyloxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105188537
3-(3-ethoxyphenoxy)-N-methylcyclopentan-1-amine
CID 79632551
1-cyclopropyloxy-3-(1-methoxyethenyl)benzene
CID 70286817
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyloxyphenyl)-N-methylprop-2-yn-1-amine?
The IUPAC name of 3-(3-cyclopropyloxyphenyl)-N-methylprop-2-yn-1-amine (CID 114522393) is 3-(3-cyclopropyloxyphenyl)-N-methylprop-2-yn-1-amine.
What is the SMILES notation for 3-(3-cyclopropyloxyphenyl)-N-methylprop-2-yn-1-amine?
The canonical SMILES for 3-(3-cyclopropyloxyphenyl)-N-methylprop-2-yn-1-amine is CNCC#Cc1cccc(OC2CC2)c1.
What is the InChIKey of 3-(3-cyclopropyloxyphenyl)-N-methylprop-2-yn-1-amine?
The InChIKey is ZJNYAIPVUGKCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-14-9-3-5-11-4-2-6-13(10-11)15-12-7-8-12/h2,4,6,10,12,14H,7-9H2,1H3.
What are the key properties of 3-(3-cyclopropyloxyphenyl)-N-methylprop-2-yn-1-amine?
3-(3-cyclopropyloxyphenyl)-N-methylprop-2-yn-1-amine has a molecular weight of 201.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyloxyphenyl)-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 114522393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).