[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol

C13H18FNO — CID 115243621

IUPAC[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCCc2ccc(F)cc2)CC1
InChIInChI=1S/C13H18FNO/c14-12-3-1-11(2-4-12)5-8-15-9-13(10-16)6-7-13/h1-4,15-16H,5-10H2
InChIKeyDEHZJDDRAAMLIZ-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.73
Rot. Bonds6

About [1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol

[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol (PubChem CID 115243621) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is [1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
PubChem CID115243621
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCCc2ccc(F)cc2)CC1
InChIInChI=1S/C13H18FNO/c14-12-3-1-11(2-4-12)5-8-15-9-13(10-16)6-7-13/h1-4,15-16H,5-10H2
InChIKeyDEHZJDDRAAMLIZ-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
CID 81411898
N-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 126847971
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
[3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249056
5-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]-3H-1,3-benzoxazol-2-one
CID 115243683
[1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81418469
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631435
[1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243653
[1-[(2-fluoroethylamino)methyl]cyclopropyl]methanol
CID 115454656
2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol
CID 114756649
[3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249064

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol (CID 115243621) is [1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol is OCC1(CNCCc2ccc(F)cc2)CC1.
What is the InChIKey of [1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol?
The InChIKey is DEHZJDDRAAMLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-12-3-1-11(2-4-12)5-8-15-9-13(10-16)6-7-13/h1-4,15-16H,5-10H2.
What are the key properties of [1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol?
[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol has a molecular weight of 223.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).