(2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol

C19H29F2NO3 — CID 129423114

IUPAC(2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COC[C@H](O)CN(Cc1ccc(F)cc1F)C[C@H]1CCCO1
InChIInChI=1S/C19H29F2NO3/c1-14(2)12-24-13-17(23)10-22(11-18-4-3-7-25-18)9-15-5-6-16(20)8-19(15)21/h5-6,8,14,17-18,23H,3-4,7,9-13H2,1-2H3/t17-,18-/m1/s1
InChIKeyPTRVGSLSLBDSRL-QZTJIDSGSA-N
MW357.44 g/mol
LogP2.98
Rot. Bonds10

About (2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol

(2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 129423114) has the molecular formula C19H29F2NO3 and a molecular weight of 357.44 g/mol. Its IUPAC name is (2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID129423114
Molecular FormulaC19H29F2NO3
Molecular Weight357.44 g/mol
Exact Mass357.21
IUPAC Name(2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COC[C@H](O)CN(Cc1ccc(F)cc1F)C[C@H]1CCCO1
InChIInChI=1S/C19H29F2NO3/c1-14(2)12-24-13-17(23)10-22(11-18-4-3-7-25-18)9-15-5-6-16(20)8-19(15)21/h5-6,8,14,17-18,23H,3-4,7,9-13H2,1-2H3/t17-,18-/m1/s1
InChIKeyPTRVGSLSLBDSRL-QZTJIDSGSA-N
XLogP2.98
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 129426977
(2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 129426025
1-[benzyl(oxolan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713650
(2S)-1-[(2,4-difluorophenyl)methyl-[[(5R)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93177142
1-[(3,4-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 46006945
(2S)-1-[(2-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 129422627
(2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93147017
(2S)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93207944
2-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 78793489
(2R)-1-[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 129423157
1-(4-chlorophenoxy)-3-[(2,4-dimethylphenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol
CID 42682313
(2S)-1-[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 93099028

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of (2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol (CID 129423114) is (2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol is CC(C)COC[C@H](O)CN(Cc1ccc(F)cc1F)C[C@H]1CCCO1.
What is the InChIKey of (2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is PTRVGSLSLBDSRL-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H29F2NO3/c1-14(2)12-24-13-17(23)10-22(11-18-4-3-7-25-18)9-15-5-6-16(20)8-19(15)21/h5-6,8,14,17-18,23H,3-4,7,9-13H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of (2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
(2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 357.44 g/mol, XLogP of 2.98, 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-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 129423114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).