(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol

C13H21NO2 — CID 114985581

IUPAC(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
SMILESCC(C)Oc1cccc(CN[C@H](C)CO)c1
InChIInChI=1S/C13H21NO2/c1-10(2)16-13-6-4-5-12(7-13)8-14-11(3)9-15/h4-7,10-11,14-15H,8-9H2,1-3H3/t11-/m1/s1
InChIKeyRNROUYSFZZDKFH-LLVKDONJSA-N
MW223.32 g/mol
LogP1.94
Rot. Bonds6

About (2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol

(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol (PubChem CID 114985581) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
PubChem CID114985581
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
SMILESCC(C)Oc1cccc(CN[C@H](C)CO)c1
InChIInChI=1S/C13H21NO2/c1-10(2)16-13-6-4-5-12(7-13)8-14-11(3)9-15/h4-7,10-11,14-15H,8-9H2,1-3H3/t11-/m1/s1
InChIKeyRNROUYSFZZDKFH-LLVKDONJSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 61210556
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 63011929
methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 54959179
(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81394417
1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 63476778
ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 61498264
(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81390243
(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
CID 114986461
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine
CID 54849222

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol (CID 114985581) is (2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol is CC(C)Oc1cccc(CN[C@H](C)CO)c1.
What is the InChIKey of (2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol?
The InChIKey is RNROUYSFZZDKFH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)16-13-6-4-5-12(7-13)8-14-11(3)9-15/h4-7,10-11,14-15H,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol?
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 114985581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).