2-[benzyl(pent-3-ynyl)amino]ethanol

C14H19NO — CID 104748242

IUPAC2-[benzyl(pent-3-ynyl)amino]ethanol
SMILESCC#CCCN(CCO)Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-2-3-7-10-15(11-12-16)13-14-8-5-4-6-9-14/h4-6,8-9,16H,7,10-13H2,1H3
InChIKeyMBOQDOFTOKIDJP-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.89
Rot. Bonds6

About 2-[benzyl(pent-3-ynyl)amino]ethanol

2-[benzyl(pent-3-ynyl)amino]ethanol (PubChem CID 104748242) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[benzyl(pent-3-ynyl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl(pent-3-ynyl)amino]ethanol
PubChem CID104748242
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-[benzyl(pent-3-ynyl)amino]ethanol
SMILESCC#CCCN(CCO)Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-2-3-7-10-15(11-12-16)13-14-8-5-4-6-9-14/h4-6,8-9,16H,7,10-13H2,1H3
InChIKeyMBOQDOFTOKIDJP-UHFFFAOYSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.89
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

2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
CID 60684939
N-benzyl-N-methylpent-3-yn-1-amine
CID 145321496
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-[benzyl(nonyl)amino]ethanol
CID 63469962
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
CID 67016805
2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol
CID 158603014
N,N-dibenzylpropan-1-amine
CID 10840212
4-[benzyl(propyl)amino]butan-1-ol
CID 130822527

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(pent-3-ynyl)amino]ethanol?
The IUPAC name of 2-[benzyl(pent-3-ynyl)amino]ethanol (CID 104748242) is 2-[benzyl(pent-3-ynyl)amino]ethanol.
What is the SMILES notation for 2-[benzyl(pent-3-ynyl)amino]ethanol?
The canonical SMILES for 2-[benzyl(pent-3-ynyl)amino]ethanol is CC#CCCN(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(pent-3-ynyl)amino]ethanol?
The InChIKey is MBOQDOFTOKIDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-3-7-10-15(11-12-16)13-14-8-5-4-6-9-14/h4-6,8-9,16H,7,10-13H2,1H3.
What are the key properties of 2-[benzyl(pent-3-ynyl)amino]ethanol?
2-[benzyl(pent-3-ynyl)amino]ethanol has a molecular weight of 217.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(pent-3-ynyl)amino]ethanol is sourced from PubChem (CID 104748242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).