(3R,5R)-5-anilino-2,3-dimethylhexan-3-ol

C14H23NO — CID 11543104

IUPAC(3R,5R)-5-anilino-2,3-dimethylhexan-3-ol
SMILESCC(C)[C@](C)(O)C[C@@H](C)Nc1ccccc1
InChIInChI=1S/C14H23NO/c1-11(2)14(4,16)10-12(3)15-13-8-6-5-7-9-13/h5-9,11-12,15-16H,10H2,1-4H3/t12-,14-/m1/s1
InChIKeyQBEXJMOXOMABTA-TZMCWYRMSA-N
MW221.34 g/mol
LogP3.28
Rot. Bonds5

About (3R,5R)-5-anilino-2,3-dimethylhexan-3-ol

(3R,5R)-5-anilino-2,3-dimethylhexan-3-ol (PubChem CID 11543104) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (3R,5R)-5-anilino-2,3-dimethylhexan-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-anilino-2,3-dimethylhexan-3-ol
PubChem CID11543104
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(3R,5R)-5-anilino-2,3-dimethylhexan-3-ol
SMILESCC(C)[C@](C)(O)C[C@@H](C)Nc1ccccc1
InChIInChI=1S/C14H23NO/c1-11(2)14(4,16)10-12(3)15-13-8-6-5-7-9-13/h5-9,11-12,15-16H,10H2,1-4H3/t12-,14-/m1/s1
InChIKeyQBEXJMOXOMABTA-TZMCWYRMSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N,2-trimethyl-4-N-phenylpentane-2,4-diamine
CID 13185865
5-(2-anilinopropyl)nonan-5-ol
CID 101408633
N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline
CID 43759154
4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43773231
2,4,5-trimethyl-1-phenylhexane-1,4-diol
CID 114496760
tert-butyl N-(3-anilinobutanoyl)carbamate
CID 11608842
3-anilinobutan-2-ol
CID 13494330
4-N-phenylpentane-2,4-diamine
CID 156531414
4-N-[4-(4-anilinoanilino)pentan-2-yl]-1-N-phenylbenzene-1,4-diamine
CID 129234717
3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43773347
3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile
CID 43762494
methyl (3R)-3-anilinobutanoate
CID 11333008

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-anilino-2,3-dimethylhexan-3-ol?
The IUPAC name of (3R,5R)-5-anilino-2,3-dimethylhexan-3-ol (CID 11543104) is (3R,5R)-5-anilino-2,3-dimethylhexan-3-ol.
What is the SMILES notation for (3R,5R)-5-anilino-2,3-dimethylhexan-3-ol?
The canonical SMILES for (3R,5R)-5-anilino-2,3-dimethylhexan-3-ol is CC(C)[C@](C)(O)C[C@@H](C)Nc1ccccc1.
What is the InChIKey of (3R,5R)-5-anilino-2,3-dimethylhexan-3-ol?
The InChIKey is QBEXJMOXOMABTA-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)14(4,16)10-12(3)15-13-8-6-5-7-9-13/h5-9,11-12,15-16H,10H2,1-4H3/t12-,14-/m1/s1.
What are the key properties of (3R,5R)-5-anilino-2,3-dimethylhexan-3-ol?
(3R,5R)-5-anilino-2,3-dimethylhexan-3-ol has a molecular weight of 221.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-anilino-2,3-dimethylhexan-3-ol is sourced from PubChem (CID 11543104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).