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

C13H17NO2 — CID 94074486

IUPAC(2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol
SMILESC#CCOc1cccc(CNC[C@@H](C)O)c1
InChIInChI=1S/C13H17NO2/c1-3-7-16-13-6-4-5-12(8-13)10-14-9-11(2)15/h1,4-6,8,11,14-15H,7,9-10H2,2H3/t11-/m1/s1
InChIKeyLTNGGORDLKIVBV-LLVKDONJSA-N
MW219.28 g/mol
LogP1.17
Rot. Bonds6

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

(2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol (PubChem CID 94074486) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol
PubChem CID94074486
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol
SMILESC#CCOc1cccc(CNC[C@@H](C)O)c1
InChIInChI=1S/C13H17NO2/c1-3-7-16-13-6-4-5-12(8-13)10-14-9-11(2)15/h1,4-6,8,11,14-15H,7,9-10H2,2H3/t11-/m1/s1
InChIKeyLTNGGORDLKIVBV-LLVKDONJSA-N
XLogP1.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(3-butoxyphenyl)methylamino]propan-2-ol
CID 54849199
N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine
CID 60883159
1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol
CID 54849301
1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 83306649
(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 86814419
N-[(3-prop-2-ynoxyphenyl)methyl]heptan-1-amine
CID 98128493
(2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51997084
4-methyl-5-[(4-prop-2-ynoxyphenyl)methylamino]pentan-2-ol
CID 111448736
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721134
(3-prop-2-ynoxyphenyl)methanol
CID 10797067
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
1-[(3-ethoxyphenyl)methylamino]butan-2-ol
CID 60884367

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol (CID 94074486) is (2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol is C#CCOc1cccc(CNC[C@@H](C)O)c1.
What is the InChIKey of (2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol?
The InChIKey is LTNGGORDLKIVBV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-7-16-13-6-4-5-12(8-13)10-14-9-11(2)15/h1,4-6,8,11,14-15H,7,9-10H2,2H3/t11-/m1/s1.
What are the key properties of (2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol?
(2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol has a molecular weight of 219.28 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 94074486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).