4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine

C12H15NO — CID 170463916

IUPAC4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine
SMILESCNCCC#Cc1ccccc1OC
InChIInChI=1S/C12H15NO/c1-13-10-6-5-8-11-7-3-4-9-12(11)14-2/h3-4,7,9,13H,6,10H2,1-2H3
InChIKeyYNMPLZXXWNZATH-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.66
Rot. Bonds3

About 4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine

4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine (PubChem CID 170463916) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine
PubChem CID170463916
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine
SMILESCNCCC#Cc1ccccc1OC
InChIInChI=1S/C12H15NO/c1-13-10-6-5-8-11-7-3-4-9-12(11)14-2/h3-4,7,9,13H,6,10H2,1-2H3
InChIKeyYNMPLZXXWNZATH-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(methylamino)but-1-ynyl]phenol
CID 170463739
1-(3-bromoprop-1-ynyl)-2-methoxybenzene
CID 19973041
1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene
CID 11313747
N-[4-(2-methoxyphenyl)but-3-ynyl]quinazolin-4-amine
CID 67890166
2,5-dimethoxy-4-[4-(methylamino)but-1-ynyl]benzaldehyde
CID 170465172
2-[4-(methylamino)but-1-ynyl]benzenecarbothioamide
CID 170464293
3-(2-methoxyphenyl)-N,N-dipropylprop-2-yn-1-amine
CID 146003610
N-methyl-4-[2-(1H-pyrazol-5-yl)phenyl]but-3-yn-1-amine
CID 170465040
N-[3-(2-methoxyphenyl)prop-2-ynyl]propane-1-sulfonamide
CID 90553197
4-(2-chloro-3-fluorophenyl)-N-methylbut-3-yn-1-amine
CID 170463861
3-(2-methoxyphenyl)-N-methylprop-2-ynamide
CID 154718529
4-(5-methoxy-2-nitrophenyl)-N-methylbut-3-yn-1-amine
CID 170465436

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine?
The IUPAC name of 4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine (CID 170463916) is 4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine?
The canonical SMILES for 4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine is CNCCC#Cc1ccccc1OC.
What is the InChIKey of 4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine?
The InChIKey is YNMPLZXXWNZATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-13-10-6-5-8-11-7-3-4-9-12(11)14-2/h3-4,7,9,13H,6,10H2,1-2H3.
What are the key properties of 4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine?
4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine has a molecular weight of 189.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine is sourced from PubChem (CID 170463916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).