(1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol

C16H23NO — CID 7074499

IUPAC(1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol
SMILESCN(C[C@@H]1CC=CCC1)C[C@H](O)c1ccccc1
InChIInChI=1S/C16H23NO/c1-17(12-14-8-4-2-5-9-14)13-16(18)15-10-6-3-7-11-15/h2-4,6-7,10-11,14,16,18H,5,8-9,12-13H2,1H3/t14-,16+/m1/s1
InChIKeyXTEFZUUUYVDILA-ZBFHGGJFSA-N
MW245.37 g/mol
LogP3.01
Rot. Bonds5

About (1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol

(1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol (PubChem CID 7074499) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol
PubChem CID7074499
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol
SMILESCN(C[C@@H]1CC=CCC1)C[C@H](O)c1ccccc1
InChIInChI=1S/C16H23NO/c1-17(12-14-8-4-2-5-9-14)13-16(18)15-10-6-3-7-11-15/h2-4,6-7,10-11,14,16,18H,5,8-9,12-13H2,1H3/t14-,16+/m1/s1
InChIKeyXTEFZUUUYVDILA-ZBFHGGJFSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol with MolForge

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Related Compounds

2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949329
2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 55125907
(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol
CID 40768444
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 54884021
2-[cyclopropylmethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949285
1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
CID 62860027
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane
CID 177009709
1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol
CID 63725224
1-cyclohex-3-en-1-yl-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 74242475

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol (CID 7074499) is (1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol is CN(C[C@@H]1CC=CCC1)C[C@H](O)c1ccccc1.
What is the InChIKey of (1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol?
The InChIKey is XTEFZUUUYVDILA-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H23NO/c1-17(12-14-8-4-2-5-9-14)13-16(18)15-10-6-3-7-11-15/h2-4,6-7,10-11,14,16,18H,5,8-9,12-13H2,1H3/t14-,16+/m1/s1.
What are the key properties of (1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol?
(1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol has a molecular weight of 245.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol is sourced from PubChem (CID 7074499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).