(1S,2R)-1-(methylamino)-2-phenylpropan-1-ol

C10H15NO — CID 173329938

IUPAC(1S,2R)-1-(methylamino)-2-phenylpropan-1-ol
SMILESCN[C@@H](O)[C@H](C)c1ccccc1
InChIInChI=1S/C10H15NO/c1-8(10(12)11-2)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m1/s1
InChIKeyNHZBHLIUDZCRHH-SCZZXKLOSA-N
MW165.24 g/mol
LogP1.33
Rot. Bonds3

About (1S,2R)-1-(methylamino)-2-phenylpropan-1-ol

(1S,2R)-1-(methylamino)-2-phenylpropan-1-ol (PubChem CID 173329938) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (1S,2R)-1-(methylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-(methylamino)-2-phenylpropan-1-ol
PubChem CID173329938
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(1S,2R)-1-(methylamino)-2-phenylpropan-1-ol
SMILESCN[C@@H](O)[C@H](C)c1ccccc1
InChIInChI=1S/C10H15NO/c1-8(10(12)11-2)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m1/s1
InChIKeyNHZBHLIUDZCRHH-SCZZXKLOSA-N
XLogP1.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

cyclodecapentaenyl(methylamino)methanol
CID 129203731
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
(1S)-1-amino-2-phenylpropan-1-ol
CID 130442875
N,N-dimethyl-2-(methylamino)-3-phenylbutanamide
CID 16748884
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
CID 162055565
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537
(1S)-1-phenylethanol
CID 157125626
ethane;N-methyl-1-phenylethanamine
CID 91444453
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(methylamino)-2-phenylpropan-1-ol?
The IUPAC name of (1S,2R)-1-(methylamino)-2-phenylpropan-1-ol (CID 173329938) is (1S,2R)-1-(methylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R)-1-(methylamino)-2-phenylpropan-1-ol?
The canonical SMILES for (1S,2R)-1-(methylamino)-2-phenylpropan-1-ol is CN[C@@H](O)[C@H](C)c1ccccc1.
What is the InChIKey of (1S,2R)-1-(methylamino)-2-phenylpropan-1-ol?
The InChIKey is NHZBHLIUDZCRHH-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(10(12)11-2)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m1/s1.
What are the key properties of (1S,2R)-1-(methylamino)-2-phenylpropan-1-ol?
(1S,2R)-1-(methylamino)-2-phenylpropan-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(methylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 173329938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).