(2S,3S,5S)-2-amino-5-methyl-1,6-diphenylhexan-3-ol

C19H25NO — CID 59131351

IUPAC(2S,3S,5S)-2-amino-5-methyl-1,6-diphenylhexan-3-ol
SMILESC[C@@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C19H25NO/c1-15(12-16-8-4-2-5-9-16)13-19(21)18(20)14-17-10-6-3-7-11-17/h2-11,15,18-19,21H,12-14,20H2,1H3/t15-,18-,19-/m0/s1
InChIKeyMQSKXMMZPKOMPU-SNRMKQJTSA-N
MW283.42 g/mol
LogP3.19
Rot. Bonds7

About (2S,3S,5S)-2-amino-5-methyl-1,6-diphenylhexan-3-ol

(2S,3S,5S)-2-amino-5-methyl-1,6-diphenylhexan-3-ol (PubChem CID 59131351) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S,3S,5S)-2-amino-5-methyl-1,6-diphenylhexan-3-ol.

Molecular Properties

Compound Name(2S,3S,5S)-2-amino-5-methyl-1,6-diphenylhexan-3-ol
PubChem CID59131351
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(2S,3S,5S)-2-amino-5-methyl-1,6-diphenylhexan-3-ol
SMILESC[C@@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C19H25NO/c1-15(12-16-8-4-2-5-9-16)13-19(21)18(20)14-17-10-6-3-7-11-17/h2-11,15,18-19,21H,12-14,20H2,1H3/t15-,18-,19-/m0/s1
InChIKeyMQSKXMMZPKOMPU-SNRMKQJTSA-N
XLogP3.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-2-amino-5-methyl-1,6-diphenylhexan-3-ol?
The IUPAC name of (2S,3S,5S)-2-amino-5-methyl-1,6-diphenylhexan-3-ol (CID 59131351) is (2S,3S,5S)-2-amino-5-methyl-1,6-diphenylhexan-3-ol.
What is the SMILES notation for (2S,3S,5S)-2-amino-5-methyl-1,6-diphenylhexan-3-ol?
The canonical SMILES for (2S,3S,5S)-2-amino-5-methyl-1,6-diphenylhexan-3-ol is C[C@@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S,3S,5S)-2-amino-5-methyl-1,6-diphenylhexan-3-ol?
The InChIKey is MQSKXMMZPKOMPU-SNRMKQJTSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(12-16-8-4-2-5-9-16)13-19(21)18(20)14-17-10-6-3-7-11-17/h2-11,15,18-19,21H,12-14,20H2,1H3/t15-,18-,19-/m0/s1.
What are the key properties of (2S,3S,5S)-2-amino-5-methyl-1,6-diphenylhexan-3-ol?
(2S,3S,5S)-2-amino-5-methyl-1,6-diphenylhexan-3-ol has a molecular weight of 283.42 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-2-amino-5-methyl-1,6-diphenylhexan-3-ol is sourced from PubChem (CID 59131351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).