2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride

C16H24ClNO — CID 54601250

IUPAC2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride
SMILESCl.OCCNC(Cc1ccccc1)C1CC=CCC1
InChIInChI=1S/C16H23NO.ClH/c18-12-11-17-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14;/h1-5,7-8,15-18H,6,9-13H2;1H
InChIKeyBKBJIMVULLGPDW-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.96
Rot. Bonds6

About 2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride

2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride (PubChem CID 54601250) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride
PubChem CID54601250
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride
SMILESCl.OCCNC(Cc1ccccc1)C1CC=CCC1
InChIInChI=1S/C16H23NO.ClH/c18-12-11-17-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14;/h1-5,7-8,15-18H,6,9-13H2;1H
InChIKeyBKBJIMVULLGPDW-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(benzylamino)-2-cyclohex-3-en-1-ylethanol
CID 61046548
(2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol
CID 102610116
(3S)-3-[(1S)-cyclohex-3-en-1-yl]-3-(phenylmethoxycarbonylamino)propanoic acid
CID 93481111
1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine
CID 115706143
N-(1-hydroxy-3-phenylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 63261072
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 107861462
(2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol
CID 103778498
N-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine
CID 115706886
1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea
CID 111435397
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine
CID 65391828
1-cyclohex-3-en-1-ylethylselanylbenzene
CID 12544075
2-benzyl-3-(cyclopropylamino)propan-1-ol
CID 117241557

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride (CID 54601250) is 2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride is Cl.OCCNC(Cc1ccccc1)C1CC=CCC1.
What is the InChIKey of 2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride?
The InChIKey is BKBJIMVULLGPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.ClH/c18-12-11-17-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14;/h1-5,7-8,15-18H,6,9-13H2;1H.
What are the key properties of 2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride?
2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride has a molecular weight of 281.83 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride is sourced from PubChem (CID 54601250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).