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

C12H19NO — CID 10012836

IUPAC(3R,5S)-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+/m0/s1
InChIKeyNEACIVKWOBCQSU-CMPLNLGQSA-N
MW193.29 g/mol
LogP2.65
Rot. Bonds5

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

(3R,5S)-5-anilinohexan-3-ol (PubChem CID 10012836) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (3R,5S)-5-anilinohexan-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-anilinohexan-3-ol
PubChem CID10012836
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(3R,5S)-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+/m0/s1
InChIKeyNEACIVKWOBCQSU-CMPLNLGQSA-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

Analyze (3R,5S)-5-anilinohexan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Isopropylaniline
CID 13032
N-(2-Hydroxyethyl)aniline
CID 31235
2-Propanol, 1,1'-(phenylimino)bis-
CID 76498
2-(4-Amino-N-ethylanilino)ethanol
CID 66713
3-(Phenylamino)propan-1-ol
CID 410467
N-sec-Butylaniline
CID 253532
N-Pentylaniline
CID 75865
1-Methoxy-3-phenylamino-propan-2-ol
CID 3144953
N-Hexylaniline
CID 138340
3-(N-Phenylamino)-1,2-propanediol
CID 91551
2-((4-Fluorophenyl)amino)ethan-1-ol
CID 25791236
4-(4-Phenylpiperazin-1-yl)piperidin-3-ol
CID 44410883

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-anilinohexan-3-ol?
The IUPAC name of (3R,5S)-5-anilinohexan-3-ol (CID 10012836) is (3R,5S)-5-anilinohexan-3-ol.
What is the SMILES notation for (3R,5S)-5-anilinohexan-3-ol?
The canonical SMILES for (3R,5S)-5-anilinohexan-3-ol is CC[C@@H](O)C[C@H](C)Nc1ccccc1.
What is the InChIKey of (3R,5S)-5-anilinohexan-3-ol?
The InChIKey is NEACIVKWOBCQSU-CMPLNLGQSA-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+/m0/s1.
What are the key properties of (3R,5S)-5-anilinohexan-3-ol?
(3R,5S)-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,5S)-5-anilinohexan-3-ol is sourced from PubChem (CID 10012836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).