2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol

C15H22FNO — CID 110883262

IUPAC2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol
SMILESCCCN(CC1CC1)CC(O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-2-9-17(10-12-3-4-12)11-15(18)13-5-7-14(16)8-6-13/h5-8,12,15,18H,2-4,9-11H2,1H3
InChIKeyUDLZRDWRBJHWKP-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.98
Rot. Bonds7

About 2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol

2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol (PubChem CID 110883262) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol
PubChem CID110883262
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol
SMILESCCCN(CC1CC1)CC(O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-2-9-17(10-12-3-4-12)11-15(18)13-5-7-14(16)8-6-13/h5-8,12,15,18H,2-4,9-11H2,1H3
InChIKeyUDLZRDWRBJHWKP-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol
CID 55055537
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449
3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941544
1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 63954700
(2R)-1-[cyclopropylmethyl(propyl)amino]propan-2-ol
CID 103935017
2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 82215871
3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol
CID 55099258
(1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 95170921
2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol
CID 63954434
2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 111382017
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111118143
2-[ethyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]acetonitrile
CID 110912728

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol (CID 110883262) is 2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol is CCCN(CC1CC1)CC(O)c1ccc(F)cc1.
What is the InChIKey of 2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol?
The InChIKey is UDLZRDWRBJHWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-9-17(10-12-3-4-12)11-15(18)13-5-7-14(16)8-6-13/h5-8,12,15,18H,2-4,9-11H2,1H3.
What are the key properties of 2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol?
2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol has a molecular weight of 251.34 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-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 110883262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).