(2S,3R)-3-methyl-2-(N-phenylanilino)hexan-3-ol

C19H25NO — CID 178185624

IUPAC(2S,3R)-3-methyl-2-(N-phenylanilino)hexan-3-ol
SMILESCCC[C@@](C)(O)[C@H](C)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-4-15-19(3,21)16(2)20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,21H,4,15H2,1-3H3/t16-,19+/m0/s1
InChIKeyKWHQZFYIPOCQOW-QFBILLFUSA-N
MW283.42 g/mol
LogP4.76
Rot. Bonds6

About (2S,3R)-3-methyl-2-(N-phenylanilino)hexan-3-ol

(2S,3R)-3-methyl-2-(N-phenylanilino)hexan-3-ol (PubChem CID 178185624) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S,3R)-3-methyl-2-(N-phenylanilino)hexan-3-ol.

Molecular Properties

Compound Name(2S,3R)-3-methyl-2-(N-phenylanilino)hexan-3-ol
PubChem CID178185624
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(2S,3R)-3-methyl-2-(N-phenylanilino)hexan-3-ol
SMILESCCC[C@@](C)(O)[C@H](C)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-4-15-19(3,21)16(2)20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,21H,4,15H2,1-3H3/t16-,19+/m0/s1
InChIKeyKWHQZFYIPOCQOW-QFBILLFUSA-N
XLogP4.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyl-2-(N-phenylanilino)hexan-3-ol?
The IUPAC name of (2S,3R)-3-methyl-2-(N-phenylanilino)hexan-3-ol (CID 178185624) is (2S,3R)-3-methyl-2-(N-phenylanilino)hexan-3-ol.
What is the SMILES notation for (2S,3R)-3-methyl-2-(N-phenylanilino)hexan-3-ol?
The canonical SMILES for (2S,3R)-3-methyl-2-(N-phenylanilino)hexan-3-ol is CCC[C@@](C)(O)[C@H](C)N(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R)-3-methyl-2-(N-phenylanilino)hexan-3-ol?
The InChIKey is KWHQZFYIPOCQOW-QFBILLFUSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-15-19(3,21)16(2)20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,21H,4,15H2,1-3H3/t16-,19+/m0/s1.
What are the key properties of (2S,3R)-3-methyl-2-(N-phenylanilino)hexan-3-ol?
(2S,3R)-3-methyl-2-(N-phenylanilino)hexan-3-ol has a molecular weight of 283.42 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-2-(N-phenylanilino)hexan-3-ol is sourced from PubChem (CID 178185624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).