(2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol

C16H25F2NO3 — CID 93162626

IUPAC(2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCOCCN(Cc1ccc(F)cc1F)C[C@@H](O)COC(C)C
InChIInChI=1S/C16H25F2NO3/c1-12(2)22-11-15(20)10-19(6-7-21-3)9-13-4-5-14(17)8-16(13)18/h4-5,8,12,15,20H,6-7,9-11H2,1-3H3/t15-/m1/s1
InChIKeyMIPDSPNWYNHQCV-OAHLLOKOSA-N
MW317.38 g/mol
LogP2.20
Rot. Bonds10

About (2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol

(2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 93162626) has the molecular formula C16H25F2NO3 and a molecular weight of 317.38 g/mol. Its IUPAC name is (2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID93162626
Molecular FormulaC16H25F2NO3
Molecular Weight317.38 g/mol
Exact Mass317.18
IUPAC Name(2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCOCCN(Cc1ccc(F)cc1F)C[C@@H](O)COC(C)C
InChIInChI=1S/C16H25F2NO3/c1-12(2)22-11-15(20)10-19(6-7-21-3)9-13-4-5-14(17)8-16(13)18/h4-5,8,12,15,20H,6-7,9-11H2,1-3H3/t15-/m1/s1
InChIKeyMIPDSPNWYNHQCV-OAHLLOKOSA-N
XLogP2.20
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol with MolForge

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Related Compounds

1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24712861
(2R)-1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161184
(2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylmethoxypropan-2-ol
CID 93162625
[(2S)-3-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-2-hydroxypropyl] butanoate
CID 93162641
(2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95357959
1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60635415
1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713119
1-[(2,4-difluorophenyl)methyl-(3-methoxypropyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 24713954
(2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 93162660
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 61035306
1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 42837102
5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline
CID 64770363

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol (CID 93162626) is (2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol is COCCN(Cc1ccc(F)cc1F)C[C@@H](O)COC(C)C.
What is the InChIKey of (2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is MIPDSPNWYNHQCV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25F2NO3/c1-12(2)22-11-15(20)10-19(6-7-21-3)9-13-4-5-14(17)8-16(13)18/h4-5,8,12,15,20H,6-7,9-11H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol?
(2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 317.38 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 93162626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).