1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol

C15H22FNO3 — CID 60633304

IUPAC1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESOC(CNCc1ccccc1F)COCC1CCCO1
InChIInChI=1S/C15H22FNO3/c16-15-6-2-1-4-12(15)8-17-9-13(18)10-19-11-14-5-3-7-20-14/h1-2,4,6,13-14,17-18H,3,5,7-11H2
InChIKeyDTLILJQEFMTPSC-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.47
Rot. Bonds8

About 1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol

1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 60633304) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
PubChem CID60633304
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESOC(CNCc1ccccc1F)COCC1CCCO1
InChIInChI=1S/C15H22FNO3/c16-15-6-2-1-4-12(15)8-17-9-13(18)10-19-11-14-5-3-7-20-14/h1-2,4,6,13-14,17-18H,3,5,7-11H2
InChIKeyDTLILJQEFMTPSC-UHFFFAOYSA-N
XLogP1.47
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluoro-3-methylanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 82801882
1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60896835
1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60900045
1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 45283434
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106372856
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81364457
4-[[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380965
1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61283235
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106302880
(2R)-1-[2-(2-hydroxyethoxy)ethylamino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 94562031
1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131
1-[1-(furan-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 54938663

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol (CID 60633304) is 1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol is OC(CNCc1ccccc1F)COCC1CCCO1.
What is the InChIKey of 1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The InChIKey is DTLILJQEFMTPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c16-15-6-2-1-4-12(15)8-17-9-13(18)10-19-11-14-5-3-7-20-14/h1-2,4,6,13-14,17-18H,3,5,7-11H2.
What are the key properties of 1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 283.34 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 60633304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).