(2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol

C16H25NO — CID 11172674

IUPAC(2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol
SMILESC=CC[C@@H](N[C@@H](CO)c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H25NO/c1-5-9-15(16(2,3)4)17-14(12-18)13-10-7-6-8-11-13/h5-8,10-11,14-15,17-18H,1,9,12H2,2-4H3/t14-,15+/m0/s1
InChIKeyZXGWUKMFTXXKSA-LSDHHAIUSA-N
MW247.38 g/mol
LogP3.30
Rot. Bonds6

About (2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol

(2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol (PubChem CID 11172674) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol
PubChem CID11172674
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol
SMILESC=CC[C@@H](N[C@@H](CO)c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H25NO/c1-5-9-15(16(2,3)4)17-14(12-18)13-10-7-6-8-11-13/h5-8,10-11,14-15,17-18H,1,9,12H2,2-4H3/t14-,15+/m0/s1
InChIKeyZXGWUKMFTXXKSA-LSDHHAIUSA-N
XLogP3.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol with MolForge

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Related Compounds

(2R)-2-[[(E,3R)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-yl]amino]-2-phenylethanol
CID 134926878
(2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol
CID 11448905
tert-butyl (3S)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4,4-dimethylpentanoate
CID 11267208
(2S)-2-phenyl-2-[[(4R)-tridec-1-en-4-yl]amino]ethanol
CID 101125400
(2R)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]ethanol
CID 11032401
(2R)-2-(but-3-enylamino)-2-phenylethanol
CID 14716014
2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile
CID 76810844
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
(E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol
CID 11392226
(2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol
CID 102006794
2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol
CID 114228231
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol (CID 11172674) is (2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol is C=CC[C@@H](N[C@@H](CO)c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol?
The InChIKey is ZXGWUKMFTXXKSA-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-9-15(16(2,3)4)17-14(12-18)13-10-7-6-8-11-13/h5-8,10-11,14-15,17-18H,1,9,12H2,2-4H3/t14-,15+/m0/s1.
What are the key properties of (2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol?
(2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol has a molecular weight of 247.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol is sourced from PubChem (CID 11172674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).