2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride

C20H22ClNO — CID 54608356

IUPAC2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride
SMILESCl.OCCNC(Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H21NO.ClH/c22-14-13-21-20(15-16-7-2-1-3-8-16)19-12-6-10-17-9-4-5-11-18(17)19;/h1-12,20-22H,13-15H2;1H
InChIKeyWZMXICSXOVNBGK-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.13
Rot. Bonds6

About 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride

2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride (PubChem CID 54608356) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride
PubChem CID54608356
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride
SMILESCl.OCCNC(Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H21NO.ClH/c22-14-13-21-20(15-16-7-2-1-3-8-16)19-12-6-10-17-9-4-5-11-18(17)19;/h1-12,20-22H,13-15H2;1H
InChIKeyWZMXICSXOVNBGK-UHFFFAOYSA-N
XLogP4.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate
CID 140505249
1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea
CID 59012228
2-[(1R)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-phenylethyl]phenol
CID 101211100
N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine
CID 63412426
2-(iodoamino)-2-naphthalen-1-ylethanol
CID 88639015
(2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol
CID 142662293
2-(4-fluorophenyl)-N-methyl-1-naphthalen-1-ylethanamine
CID 61065371
N-ethyl-2-(furan-3-yl)-1-naphthalen-1-ylethanamine
CID 83176025
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
2-naphthalen-1-yl-3-phenylpropanamide
CID 141457606
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide
CID 23140892

Frequently Asked Questions

What is the IUPAC name of 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride (CID 54608356) is 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride is Cl.OCCNC(Cc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride?
The InChIKey is WZMXICSXOVNBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO.ClH/c22-14-13-21-20(15-16-7-2-1-3-8-16)19-12-6-10-17-9-4-5-11-18(17)19;/h1-12,20-22H,13-15H2;1H.
What are the key properties of 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride?
2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride is sourced from PubChem (CID 54608356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).