(1R)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-1-phenylpropan-1-ol

C15H25NO2 — CID 112742117

IUPAC(1R)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-1-phenylpropan-1-ol
SMILESCOCC(NCC[C@@H](O)c1ccccc1)C(C)C
InChIInChI=1S/C15H25NO2/c1-12(2)14(11-18-3)16-10-9-15(17)13-7-5-4-6-8-13/h4-8,12,14-17H,9-11H2,1-3H3/t14?,15-/m1/s1
InChIKeyXNUNBRSDGKTMRF-YSSOQSIOSA-N
MW251.37 g/mol
LogP2.37
Rot. Bonds8

About (1R)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-1-phenylpropan-1-ol

(1R)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-1-phenylpropan-1-ol (PubChem CID 112742117) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (1R)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-1-phenylpropan-1-ol
PubChem CID112742117
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(1R)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-1-phenylpropan-1-ol
SMILESCOCC(NCC[C@@H](O)c1ccccc1)C(C)C
InChIInChI=1S/C15H25NO2/c1-12(2)14(11-18-3)16-10-9-15(17)13-7-5-4-6-8-13/h4-8,12,14-17H,9-11H2,1-3H3/t14?,15-/m1/s1
InChIKeyXNUNBRSDGKTMRF-YSSOQSIOSA-N
XLogP2.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-1-phenylpropan-1-ol?
The IUPAC name of (1R)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-1-phenylpropan-1-ol (CID 112742117) is (1R)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-1-phenylpropan-1-ol is COCC(NCC[C@@H](O)c1ccccc1)C(C)C.
What is the InChIKey of (1R)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-1-phenylpropan-1-ol?
The InChIKey is XNUNBRSDGKTMRF-YSSOQSIOSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)14(11-18-3)16-10-9-15(17)13-7-5-4-6-8-13/h4-8,12,14-17H,9-11H2,1-3H3/t14?,15-/m1/s1.
What are the key properties of (1R)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-1-phenylpropan-1-ol?
(1R)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-1-phenylpropan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 112742117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).