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

C13H18FNO — CID 78939475

IUPAC(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol
SMILESCCN(c1cccc(F)c1[C@H](C)O)C1CC1
InChIInChI=1S/C13H18FNO/c1-3-15(10-7-8-10)12-6-4-5-11(14)13(12)9(2)16/h4-6,9-10,16H,3,7-8H2,1-2H3/t9-/m0/s1
InChIKeyBQFSBYMHQYKIMA-VIFPVBQESA-N
MW223.29 g/mol
LogP2.87
Rot. Bonds4

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

(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol (PubChem CID 78939475) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol
PubChem CID78939475
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol
SMILESCCN(c1cccc(F)c1[C@H](C)O)C1CC1
InChIInChI=1S/C13H18FNO/c1-3-15(10-7-8-10)12-6-4-5-11(14)13(12)9(2)16/h4-6,9-10,16H,3,7-8H2,1-2H3/t9-/m0/s1
InChIKeyBQFSBYMHQYKIMA-VIFPVBQESA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline
CID 43264288
(1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol
CID 63372772
(1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol
CID 63371267
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78954480
(1R)-1-[2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 63371251
(1S)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 78939528
(1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 63370786
(1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 107399695
(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
CID 78939265
1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol
CID 43506187
2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol
CID 110897812
2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline
CID 55189077

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol (CID 78939475) is (1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol is CCN(c1cccc(F)c1[C@H](C)O)C1CC1.
What is the InChIKey of (1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol?
The InChIKey is BQFSBYMHQYKIMA-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-15(10-7-8-10)12-6-4-5-11(14)13(12)9(2)16/h4-6,9-10,16H,3,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol?
(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol has a molecular weight of 223.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol is sourced from PubChem (CID 78939475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).