1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol

C15H22FNO2 — CID 24713122

IUPAC1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol
SMILESCC(O)CN(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C15H22FNO2/c1-12(18)9-17(11-15-3-2-8-19-15)10-13-4-6-14(16)7-5-13/h4-7,12,15,18H,2-3,8-11H2,1H3
InChIKeyYPFQUIZLDZBVCR-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.19
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol

1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol (PubChem CID 24713122) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol
PubChem CID24713122
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol
SMILESCC(O)CN(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C15H22FNO2/c1-12(18)9-17(11-15-3-2-8-19-15)10-13-4-6-14(16)7-5-13/h4-7,12,15,18H,2-3,8-11H2,1H3
InChIKeyYPFQUIZLDZBVCR-UHFFFAOYSA-N
XLogP2.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746777
2-[(2-Fluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 783973
[(2S)-1-benzylpyrrolidin-2-yl]methanol
CID 719760
(4-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746785
(2-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746787
2-[(4-Fluoro-benzyl)-(2-hydroxy-ethyl)-amino]-ethanol
CID 11042091
Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-, hydroxide (1:1)
CID 118526
benzylamine, 3-fluoro-N,N-bis(2-hydroxyethyl)-
CID 60686224
Benzenemethanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-, hydroxide (1:1)
CID 118524
1,1'-(Benzylimino)dipropan-2-ol
CID 234347
Furfurylamine, tetrahydro-N-methyl-N-(alpha-methylphenethyl)-, hydrochloride, (+)-
CID 201371
1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine
CID 832718

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol (CID 24713122) is 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol is CC(O)CN(Cc1ccc(F)cc1)CC1CCCO1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol?
The InChIKey is YPFQUIZLDZBVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-12(18)9-17(11-15-3-2-8-19-15)10-13-4-6-14(16)7-5-13/h4-7,12,15,18H,2-3,8-11H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol?
1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol has a molecular weight of 267.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 24713122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).