2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol

C16H22FNO — CID 103670661

IUPAC2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol
SMILESOC(CN(CC1CC1)CC1CC1)c1ccccc1F
InChIInChI=1S/C16H22FNO/c17-15-4-2-1-3-14(15)16(19)11-18(9-12-5-6-12)10-13-7-8-13/h1-4,12-13,16,19H,5-11H2
InChIKeyFCAGRTROBLKXIY-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.98
Rot. Bonds7

About 2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol

2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol (PubChem CID 103670661) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol
PubChem CID103670661
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol
SMILESOC(CN(CC1CC1)CC1CC1)c1ccccc1F
InChIInChI=1S/C16H22FNO/c17-15-4-2-1-3-14(15)16(19)11-18(9-12-5-6-12)10-13-7-8-13/h1-4,12-13,16,19H,5-11H2
InChIKeyFCAGRTROBLKXIY-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111118143
1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 111118134
2-cyclobutyl-1-(2-fluorophenyl)ethanol
CID 65458117
1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol
CID 111456975
3-[cyclobutylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679956
(1S)-2-bromo-1-(2-fluorophenyl)ethanol
CID 24862084
3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997137
1-(2-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986373
1-(2-fluorophenyl)-2-[2-hydroxyethyl(propyl)amino]ethanol
CID 56811844
(4-ethylcyclohexyl)-(2-fluorophenyl)methanol
CID 64749746
2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-fluorophenyl)ethanol
CID 110887728
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 103619777

Frequently Asked Questions

What is the IUPAC name of 2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol (CID 103670661) is 2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol is OC(CN(CC1CC1)CC1CC1)c1ccccc1F.
What is the InChIKey of 2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol?
The InChIKey is FCAGRTROBLKXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c17-15-4-2-1-3-14(15)16(19)11-18(9-12-5-6-12)10-13-7-8-13/h1-4,12-13,16,19H,5-11H2.
What are the key properties of 2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol?
2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol has a molecular weight of 263.36 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 103670661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).