1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol

C13H18FNO — CID 107165971

IUPAC1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol
SMILESCC1(CNCC(O)c2ccccc2F)CC1
InChIInChI=1S/C13H18FNO/c1-13(6-7-13)9-15-8-12(16)10-4-2-3-5-11(10)14/h2-5,12,15-16H,6-9H2,1H3
InChIKeyPJJZTDLFTWDDMA-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.25
Rot. Bonds5

About 1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol

1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol (PubChem CID 107165971) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol
PubChem CID107165971
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol
SMILESCC1(CNCC(O)c2ccccc2F)CC1
InChIInChI=1S/C13H18FNO/c1-13(6-7-13)9-15-8-12(16)10-4-2-3-5-11(10)14/h2-5,12,15-16H,6-9H2,1H3
InChIKeyPJJZTDLFTWDDMA-UHFFFAOYSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol
CID 105416434
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea
CID 111110057
1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol
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CID 107163546
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CID 106285676
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CID 113491063
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547
5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131230
1-(4-fluorophenyl)-2-[(1-methylcyclopentyl)methylamino]ethanol
CID 63821700
1-(2-fluorophenyl)-2-(3-methylsulfonylpropylamino)ethanol
CID 54905464
(3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide
CID 125135269
N-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859862

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol (CID 107165971) is 1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol is CC1(CNCC(O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol?
The InChIKey is PJJZTDLFTWDDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(6-7-13)9-15-8-12(16)10-4-2-3-5-11(10)14/h2-5,12,15-16H,6-9H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol?
1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol has a molecular weight of 223.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol is sourced from PubChem (CID 107165971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).