6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride

C21H28ClNO — CID 11957671

IUPAC6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride
SMILESCCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23;/h3-10,19,23H,2,11-16H2,1H3;1H
InChIKeyXWLCIDLCEZAOEY-UHFFFAOYSA-N
MW345.91 g/mol
LogP4.63
Rot. Bonds6

About 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride

6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride (PubChem CID 11957671) has the molecular formula C21H28ClNO and a molecular weight of 345.91 g/mol. Its IUPAC name is 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride.

Molecular Properties

Compound Name6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride
PubChem CID11957671
Molecular FormulaC21H28ClNO
Molecular Weight345.91 g/mol
Exact Mass345.19
IUPAC Name6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride
SMILESCCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23;/h3-10,19,23H,2,11-16H2,1H3;1H
InChIKeyXWLCIDLCEZAOEY-UHFFFAOYSA-N
XLogP4.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.91
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-hydroxy-2-(di-N-propylamino)tetralin
CID 1219
8-OH-Dpat
CID 1220
Phenol, 3-(2-((2-phenylethyl)propylamino)ethyl)-, hydrochloride (1:1)
CID 114875
2-(N,N-Dipropyl)amino-5,6-dihydroxytetralin
CID 122167
(A+-)-7-Hydroxy-2-(di-n-propylamino)tetralin hydrobromide
CID 11957566
8-Hydroxy-2-dipropylaminotetralin hydrobromide
CID 6917794
2-(N-phenethyl-N-propyl)amino-5-hydroxytetralin
CID 1240
8-Hydroxy-2-(di-n-propylamino)tetralin, (R)-
CID 6603866
1-Naphthalenol, 5,6,7,8-tetrahydro-6-(propylamino)-
CID 10375676
(7S)-7-(Dipropylamino)-4-fluoro-5,6,7,8-tetrahydro-1-naphthalenol
CID 122187
5-OH-Dpat
CID 172267
PM 1000
CID 3082625

Frequently Asked Questions

What is the IUPAC name of 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride?
The IUPAC name of 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride (CID 11957671) is 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride.
What is the SMILES notation for 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride?
The canonical SMILES for 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride is CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1.Cl.
What is the InChIKey of 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride?
The InChIKey is XWLCIDLCEZAOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO.ClH/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23;/h3-10,19,23H,2,11-16H2,1H3;1H.
What are the key properties of 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride?
6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride has a molecular weight of 345.91 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-phenylethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride is sourced from PubChem (CID 11957671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).