2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol

C13H16F3NO — CID 104954541

IUPAC2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNCc2cc(F)c(F)cc2F)CC1
InChIInChI=1S/C13H16F3NO/c14-10-6-12(16)11(15)5-9(10)7-17-8-13(1-2-13)3-4-18/h5-6,17-18H,1-4,7-8H2
InChIKeyBTAKSZRBZQNHDS-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.36
Rot. Bonds6

About 2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol

2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol (PubChem CID 104954541) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol
PubChem CID104954541
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNCc2cc(F)c(F)cc2F)CC1
InChIInChI=1S/C13H16F3NO/c14-10-6-12(16)11(15)5-9(10)7-17-8-13(1-2-13)3-4-18/h5-6,17-18H,1-4,7-8H2
InChIKeyBTAKSZRBZQNHDS-UHFFFAOYSA-N
XLogP2.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzene-1,2-diol
CID 114756017
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,5-difluorophenyl)methanamine
CID 114757613
1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol
CID 114756441
2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile
CID 104954545
2-[1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750274
2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
CID 114756635
[1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol
CID 115763151
1-(4-chloro-2-fluorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 102609714
2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750236
[1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478431
2-[1-[(pyridin-2-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733141
2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 104954546

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol (CID 104954541) is 2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol is OCCC1(CNCc2cc(F)c(F)cc2F)CC1.
What is the InChIKey of 2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol?
The InChIKey is BTAKSZRBZQNHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-10-6-12(16)11(15)5-9(10)7-17-8-13(1-2-13)3-4-18/h5-6,17-18H,1-4,7-8H2.
What are the key properties of 2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol?
2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol has a molecular weight of 259.27 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 104954541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).