(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol

C14H20FNO — CID 78954480

IUPAC(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
SMILESCCN(CC1CC1)c1cccc(F)c1[C@H](C)O
InChIInChI=1S/C14H20FNO/c1-3-16(9-11-7-8-11)13-6-4-5-12(15)14(13)10(2)17/h4-6,10-11,17H,3,7-9H2,1-2H3/t10-/m0/s1
InChIKeyUXXRLQGAZJUPGH-JTQLQIEISA-N
MW237.32 g/mol
LogP3.12
Rot. Bonds5

About (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol

(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol (PubChem CID 78954480) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
PubChem CID78954480
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
SMILESCCN(CC1CC1)c1cccc(F)c1[C@H](C)O
InChIInChI=1S/C14H20FNO/c1-3-16(9-11-7-8-11)13-6-4-5-12(15)14(13)10(2)17/h4-6,10-11,17H,3,7-9H2,1-2H3/t10-/m0/s1
InChIKeyUXXRLQGAZJUPGH-JTQLQIEISA-N
XLogP3.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol (CID 78954480) is (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol is CCN(CC1CC1)c1cccc(F)c1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol?
The InChIKey is UXXRLQGAZJUPGH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-16(9-11-7-8-11)13-6-4-5-12(15)14(13)10(2)17/h4-6,10-11,17H,3,7-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol?
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol has a molecular weight of 237.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol is sourced from PubChem (CID 78954480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).