1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine

C14H19NO2 — CID 43200513

IUPAC1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine
SMILESC#CCNC(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H19NO2/c1-5-8-15-11(2)9-12-6-7-13(16-3)14(10-12)17-4/h1,6-7,10-11,15H,8-9H2,2-4H3
InChIKeyKDCLOAJIMMQXLP-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.86
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine

1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine (PubChem CID 43200513) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine
PubChem CID43200513
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine
SMILESC#CCNC(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H19NO2/c1-5-8-15-11(2)9-12-6-7-13(16-3)14(10-12)17-4/h1,6-7,10-11,15H,8-9H2,2-4H3
InChIKeyKDCLOAJIMMQXLP-UHFFFAOYSA-N
XLogP1.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
N-[(3,4-dimethoxyphenyl)methyl]pent-4-yn-2-amine
CID 115660255
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine
CID 115728675
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 43201516
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3,3-trifluoropropan-1-amine
CID 63225927
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine
CID 115720737
1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 115713699
1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
CID 115896106
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
CID 119164926
1-(3,4-dimethoxyphenyl)pent-4-yn-2-ol
CID 62234963

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine (CID 43200513) is 1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine is C#CCNC(C)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine?
The InChIKey is KDCLOAJIMMQXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-8-15-11(2)9-12-6-7-13(16-3)14(10-12)17-4/h1,6-7,10-11,15H,8-9H2,2-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine?
1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine has a molecular weight of 233.31 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine is sourced from PubChem (CID 43200513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).