2-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine

C14H17NO — CID 118733549

IUPAC2-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine
SMILESC#CCN(C)CC(=C)c1cccc(OC)c1
InChIInChI=1S/C14H17NO/c1-5-9-15(3)11-12(2)13-7-6-8-14(10-13)16-4/h1,6-8,10H,2,9,11H2,3-4H3
InChIKeyZCMBQUMIFIGWHK-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.27
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine

2-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine (PubChem CID 118733549) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine
PubChem CID118733549
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine
SMILESC#CCN(C)CC(=C)c1cccc(OC)c1
InChIInChI=1S/C14H17NO/c1-5-9-15(3)11-12(2)13-7-6-8-14(10-13)16-4/h1,6-8,10H,2,9,11H2,3-4H3
InChIKeyZCMBQUMIFIGWHK-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-[methyl(prop-2-ynyl)amino]prop-1-en-2-yl]phenyl]thiohydroxylamine
CID 144859444
1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene
CID 122403772
5-(3-methoxyphenyl)hex-5-en-3-one
CID 143913597
1-(1-iodoethenyl)-3-methoxybenzene
CID 102579416
1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509
1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene
CID 175363200
1-methoxy-3-(3-methylbut-1-en-2-yl)benzene
CID 86234042
2-[3-[(3-methoxyphenoxy)methyl]phenyl]prop-2-enyl-methyl-prop-2-ynylazanium
CID 118987991
1-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylmethanesulfonamide
CID 99837751
1-(3-methoxyphenyl)-2-methylpent-4-yn-2-ol
CID 139767341
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine?
The IUPAC name of 2-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine (CID 118733549) is 2-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine is C#CCN(C)CC(=C)c1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine?
The InChIKey is ZCMBQUMIFIGWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-5-9-15(3)11-12(2)13-7-6-8-14(10-13)16-4/h1,6-8,10H,2,9,11H2,3-4H3.
What are the key properties of 2-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine?
2-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine is sourced from PubChem (CID 118733549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).