(1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol

C12H19NO — CID 50998989

IUPAC(1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol
SMILESCC(C)[C@@H](O)C[C@H](N)c1ccccc1
InChIInChI=1S/C12H19NO/c1-9(2)12(14)8-11(13)10-6-4-3-5-7-10/h3-7,9,11-12,14H,8,13H2,1-2H3/t11-,12-/m0/s1
InChIKeyVYLKGQFTFHOBKI-RYUDHWBXSA-N
MW193.29 g/mol
LogP2.09
Rot. Bonds4

About (1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol

(1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol (PubChem CID 50998989) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol.

Molecular Properties

Compound Name(1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol
PubChem CID50998989
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol
SMILESCC(C)[C@@H](O)C[C@H](N)c1ccccc1
InChIInChI=1S/C12H19NO/c1-9(2)12(14)8-11(13)10-6-4-3-5-7-10/h3-7,9,11-12,14H,8,13H2,1-2H3/t11-,12-/m0/s1
InChIKeyVYLKGQFTFHOBKI-RYUDHWBXSA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
(2R)-5-amino-5-phenylpentan-2-ol
CID 68757474
1-amino-5-methyl-1,6-diphenylhexan-3-ol
CID 141077870
(2S)-2-amino-2-phenylethanol;methanol
CID 160824062
ethyl 4-amino-2-hydroxy-4-phenylbutanoate
CID 141301559
(1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol
CID 102600646
(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030
2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine
CID 159334217
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(1S)-1-amino-2-phenylpropan-1-ol
CID 130442875
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
(1R)-1-amino-4-methyl-1-phenylpentan-3-one
CID 58688874

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol?
The IUPAC name of (1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol (CID 50998989) is (1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol.
What is the SMILES notation for (1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol?
The canonical SMILES for (1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol is CC(C)[C@@H](O)C[C@H](N)c1ccccc1.
What is the InChIKey of (1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol?
The InChIKey is VYLKGQFTFHOBKI-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)12(14)8-11(13)10-6-4-3-5-7-10/h3-7,9,11-12,14H,8,13H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol?
(1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol has a molecular weight of 193.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-1-amino-4-methyl-1-phenylpentan-3-ol is sourced from PubChem (CID 50998989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).