(3S,4R)-4-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]oxolan-3-ol

C16H25NO2 — CID 126803990

IUPAC(3S,4R)-4-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]oxolan-3-ol
SMILESCC(C)Cc1ccc(CN(C)[C@@H]2COC[C@H]2O)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)8-13-4-6-14(7-5-13)9-17(3)15-10-19-11-16(15)18/h4-7,12,15-16,18H,8-11H2,1-3H3/t15-,16-/m1/s1
InChIKeyMBNGKDOOXOIIQE-HZPDHXFCSA-N
MW263.38 g/mol
LogP2.08
Rot. Bonds5

About (3S,4R)-4-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]oxolan-3-ol

(3S,4R)-4-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]oxolan-3-ol (PubChem CID 126803990) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (3S,4R)-4-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]oxolan-3-ol
PubChem CID126803990
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(3S,4R)-4-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]oxolan-3-ol
SMILESCC(C)Cc1ccc(CN(C)[C@@H]2COC[C@H]2O)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)8-13-4-6-14(7-5-13)9-17(3)15-10-19-11-16(15)18/h4-7,12,15-16,18H,8-11H2,1-3H3/t15-,16-/m1/s1
InChIKeyMBNGKDOOXOIIQE-HZPDHXFCSA-N
XLogP2.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-4-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]oxolan-3-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

(3S,4R)-4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolan-3-ol
CID 126809236
4-(dibenzylamino)oxolan-3-ol
CID 130502990
4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-3-ol
CID 71081904
(3S,4R)-4-[methyl(2,2,2-trifluoroethyl)amino]oxolan-3-ol
CID 130757273
4-[butyl(methyl)amino]oxolan-3-ol
CID 139506910
2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]ethanol
CID 110921350
4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol
CID 115149409
N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 115262015
(3R,4S)-4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl-methylamino]oxolan-3-ol
CID 77096937
4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolane-3-carboxylic acid
CID 66266684
N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 170239440
(3S,4R)-4-[methyl-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]amino]oxolan-3-ol
CID 154780841

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]oxolan-3-ol (CID 126803990) is (3S,4R)-4-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]oxolan-3-ol is CC(C)Cc1ccc(CN(C)[C@@H]2COC[C@H]2O)cc1.
What is the InChIKey of (3S,4R)-4-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]oxolan-3-ol?
The InChIKey is MBNGKDOOXOIIQE-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)8-13-4-6-14(7-5-13)9-17(3)15-10-19-11-16(15)18/h4-7,12,15-16,18H,8-11H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of (3S,4R)-4-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]oxolan-3-ol?
(3S,4R)-4-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]oxolan-3-ol has a molecular weight of 263.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]oxolan-3-ol is sourced from PubChem (CID 126803990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).