3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol

C15H21NO — CID 54970383

IUPAC3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
SMILESCCCN(CC)Cc1ccccc1C#CCO
InChIInChI=1S/C15H21NO/c1-3-11-16(4-2)13-15-9-6-5-8-14(15)10-7-12-17/h5-6,8-9,17H,3-4,11-13H2,1-2H3
InChIKeyLAONSESVZRXFTE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.26
Rot. Bonds5

About 3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol

3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol (PubChem CID 54970383) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
PubChem CID54970383
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
SMILESCCCN(CC)Cc1ccccc1C#CCO
InChIInChI=1S/C15H21NO/c1-3-11-16(4-2)13-15-9-6-5-8-14(15)10-7-12-17/h5-6,8-9,17H,3-4,11-13H2,1-2H3
InChIKeyLAONSESVZRXFTE-UHFFFAOYSA-N
XLogP2.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.26
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

3-[2-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54970074
4-[2-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 63691389
ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol
CID 142610234
3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 63966881
2-[[ethyl(3-hydroxypropyl)amino]methyl]benzonitrile
CID 115582111
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine
CID 62422900
2-[[ethyl(propyl)amino]methyl]-6-fluorophenol
CID 112616084
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-ethyl-2-methylbutan-1-amine
CID 79481776
3-[2-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 82694487
N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816410
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide
CID 55091735
3-(2-methylphenyl)prop-2-yn-1-ol
CID 45156701

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol (CID 54970383) is 3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol is CCCN(CC)Cc1ccccc1C#CCO.
What is the InChIKey of 3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol?
The InChIKey is LAONSESVZRXFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-11-16(4-2)13-15-9-6-5-8-14(15)10-7-12-17/h5-6,8-9,17H,3-4,11-13H2,1-2H3.
What are the key properties of 3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol?
3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 54970383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).