3-(2-methoxyphenyl)-N,N-dipropylprop-2-yn-1-amine

C16H23NO — CID 146003610

IUPAC3-(2-methoxyphenyl)-N,N-dipropylprop-2-yn-1-amine
SMILESCCCN(CC#Cc1ccccc1OC)CCC
InChIInChI=1S/C16H23NO/c1-4-12-17(13-5-2)14-8-10-15-9-6-7-11-16(15)18-3/h6-7,9,11H,4-5,12-14H2,1-3H3
InChIKeyHRFNCXYTXYJOGR-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.17
Rot. Bonds6

About 3-(2-methoxyphenyl)-N,N-dipropylprop-2-yn-1-amine

3-(2-methoxyphenyl)-N,N-dipropylprop-2-yn-1-amine (PubChem CID 146003610) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N,N-dipropylprop-2-yn-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N,N-dipropylprop-2-yn-1-amine
PubChem CID146003610
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(2-methoxyphenyl)-N,N-dipropylprop-2-yn-1-amine
SMILESCCCN(CC#Cc1ccccc1OC)CCC
InChIInChI=1S/C16H23NO/c1-4-12-17(13-5-2)14-8-10-15-9-6-7-11-16(15)18-3/h6-7,9,11H,4-5,12-14H2,1-3H3
InChIKeyHRFNCXYTXYJOGR-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.17
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

1-(3-bromoprop-1-ynyl)-2-methoxybenzene
CID 19973041
1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene
CID 11313747
N-[3-(2-methoxyphenyl)prop-2-ynyl]propane-1-sulfonamide
CID 90553197
4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine
CID 170463916
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
3-(2-methoxyphenyl)prop-2-ynyl benzoate
CID 162397532
2-methoxy-N-methyl-N-propylaniline
CID 23198488
1-methoxy-2-[2-[4-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]phenyl]ethynyl]benzene
CID 70271277
2-chloro-4-fluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549320
3-(3,4-dichlorophenyl)-N,N-dipropylprop-2-yn-1-amine
CID 146003063
1-(4-bromobut-1-ynyl)-2-ethoxybenzene
CID 170465998
2-[2-(2-methoxyphenyl)ethynyl]benzene-1,3-diamine
CID 102223785

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N,N-dipropylprop-2-yn-1-amine?
The IUPAC name of 3-(2-methoxyphenyl)-N,N-dipropylprop-2-yn-1-amine (CID 146003610) is 3-(2-methoxyphenyl)-N,N-dipropylprop-2-yn-1-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-N,N-dipropylprop-2-yn-1-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-N,N-dipropylprop-2-yn-1-amine is CCCN(CC#Cc1ccccc1OC)CCC.
What is the InChIKey of 3-(2-methoxyphenyl)-N,N-dipropylprop-2-yn-1-amine?
The InChIKey is HRFNCXYTXYJOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-12-17(13-5-2)14-8-10-15-9-6-7-11-16(15)18-3/h6-7,9,11H,4-5,12-14H2,1-3H3.
What are the key properties of 3-(2-methoxyphenyl)-N,N-dipropylprop-2-yn-1-amine?
3-(2-methoxyphenyl)-N,N-dipropylprop-2-yn-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N,N-dipropylprop-2-yn-1-amine is sourced from PubChem (CID 146003610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).