3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol

C15H18FNO — CID 79710746

IUPAC3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol
SMILESCCN(Cc1cc(F)cc(C#CCO)c1)C1CC1
InChIInChI=1S/C15H18FNO/c1-2-17(15-5-6-15)11-13-8-12(4-3-7-18)9-14(16)10-13/h8-10,15,18H,2,5-7,11H2,1H3
InChIKeyMQPJKVOVPXNSDZ-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.15
Rot. Bonds4

About 3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol

3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol (PubChem CID 79710746) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol
PubChem CID79710746
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol
SMILESCCN(Cc1cc(F)cc(C#CCO)c1)C1CC1
InChIInChI=1S/C15H18FNO/c1-2-17(15-5-6-15)11-13-8-12(4-3-7-18)9-14(16)10-13/h8-10,15,18H,2,5-7,11H2,1H3
InChIKeyMQPJKVOVPXNSDZ-UHFFFAOYSA-N
XLogP2.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.15
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-[3-fluoro-5-[[methyl-(4-methylcyclohexyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 79698357
4-[3-[[cyclopropyl(2-methoxyethyl)amino]methyl]-5-fluorophenyl]but-3-yn-1-ol
CID 79698130
3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 79709931
3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline
CID 112645923
1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl-methylamino]propan-2-ol
CID 79710757
1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79710028
3-[3-(cyclopentylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-ol
CID 79709998
4-[3-[[cyclopropyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 54969840
3-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl-methylamino]butanenitrile
CID 79710922
N-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 79697063
3-[3-(ethoxymethyl)-5-fluorophenyl]prop-2-yn-1-ol
CID 79709894
3-[3-[(N,4-dimethylanilino)methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 79698941

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol (CID 79710746) is 3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol is CCN(Cc1cc(F)cc(C#CCO)c1)C1CC1.
What is the InChIKey of 3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol?
The InChIKey is MQPJKVOVPXNSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-2-17(15-5-6-15)11-13-8-12(4-3-7-18)9-14(16)10-13/h8-10,15,18H,2,5-7,11H2,1H3.
What are the key properties of 3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol?
3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol has a molecular weight of 247.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol is sourced from PubChem (CID 79710746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).