(3R,5R)-5-anilinohexan-3-ol

C12H19NO — CID 134905791

IUPAC(3R,5R)-5-anilinohexan-3-ol
SMILESCC[C@@H](O)C[C@@H](C)Nc1ccccc1
InChIInChI=1S/C12H19NO/c1-3-12(14)9-10(2)13-11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3/t10-,12-/m1/s1
InChIKeyNEACIVKWOBCQSU-ZYHUDNBSSA-N
MW193.29 g/mol
LogP2.65
Rot. Bonds5

About (3R,5R)-5-anilinohexan-3-ol

(3R,5R)-5-anilinohexan-3-ol (PubChem CID 134905791) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (3R,5R)-5-anilinohexan-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-anilinohexan-3-ol
PubChem CID134905791
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(3R,5R)-5-anilinohexan-3-ol
SMILESCC[C@@H](O)C[C@@H](C)Nc1ccccc1
InChIInChI=1S/C12H19NO/c1-3-12(14)9-10(2)13-11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3/t10-,12-/m1/s1
InChIKeyNEACIVKWOBCQSU-ZYHUDNBSSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-anilinohexan-3-ol?
The IUPAC name of (3R,5R)-5-anilinohexan-3-ol (CID 134905791) is (3R,5R)-5-anilinohexan-3-ol.
What is the SMILES notation for (3R,5R)-5-anilinohexan-3-ol?
The canonical SMILES for (3R,5R)-5-anilinohexan-3-ol is CC[C@@H](O)C[C@@H](C)Nc1ccccc1.
What is the InChIKey of (3R,5R)-5-anilinohexan-3-ol?
The InChIKey is NEACIVKWOBCQSU-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-12(14)9-10(2)13-11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3/t10-,12-/m1/s1.
What are the key properties of (3R,5R)-5-anilinohexan-3-ol?
(3R,5R)-5-anilinohexan-3-ol has a molecular weight of 193.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-anilinohexan-3-ol is sourced from PubChem (CID 134905791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).