[3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol

C12H14FNO — CID 106529981

IUPAC[3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol
SMILESC#CCN(CC)c1cc(F)cc(CO)c1
InChIInChI=1S/C12H14FNO/c1-3-5-14(4-2)12-7-10(9-15)6-11(13)8-12/h1,6-8,15H,4-5,9H2,2H3
InChIKeyRDOGXTAHUAYWBY-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.78
Rot. Bonds4

About [3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol

[3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol (PubChem CID 106529981) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is [3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol
PubChem CID106529981
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name[3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol
SMILESC#CCN(CC)c1cc(F)cc(CO)c1
InChIInChI=1S/C12H14FNO/c1-3-5-14(4-2)12-7-10(9-15)6-11(13)8-12/h1,6-8,15H,4-5,9H2,2H3
InChIKeyRDOGXTAHUAYWBY-UHFFFAOYSA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.78
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-[ethyl(prop-2-ynyl)amino]-5-fluorobenzaldehyde
CID 106529349
[3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol
CID 106529699
[3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol
CID 106529697
[3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol
CID 106529769
N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline
CID 106530735
3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline
CID 102813533
2-bromo-4-[ethyl(prop-2-ynyl)amino]benzonitrile
CID 107276593
3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline
CID 102814011
N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline
CID 107402449
[3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol
CID 106529874
3-[ethyl(propyl)amino]-5-fluorobenzoic acid
CID 143171308
3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline
CID 106532625

Frequently Asked Questions

What is the IUPAC name of [3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol?
The IUPAC name of [3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol (CID 106529981) is [3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol.
What is the SMILES notation for [3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol?
The canonical SMILES for [3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol is C#CCN(CC)c1cc(F)cc(CO)c1.
What is the InChIKey of [3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol?
The InChIKey is RDOGXTAHUAYWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-3-5-14(4-2)12-7-10(9-15)6-11(13)8-12/h1,6-8,15H,4-5,9H2,2H3.
What are the key properties of [3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol?
[3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol has a molecular weight of 207.25 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol is sourced from PubChem (CID 106529981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).