5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol

C19H23NO — CID 81347712

IUPAC5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1ccc([C@H](C)NC2CCCc3cc(O)ccc32)cc1
InChIInChI=1S/C19H23NO/c1-13-6-8-15(9-7-13)14(2)20-19-5-3-4-16-12-17(21)10-11-18(16)19/h6-12,14,19-21H,3-5H2,1-2H3/t14-,19?/m0/s1
InChIKeyZROMMWVKGQKTGW-KTQQKIMGSA-N
MW281.40 g/mol
LogP4.43
Rot. Bonds3

About 5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol

5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 81347712) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID81347712
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1ccc([C@H](C)NC2CCCc3cc(O)ccc32)cc1
InChIInChI=1S/C19H23NO/c1-13-6-8-15(9-7-13)14(2)20-19-5-3-4-16-12-17(21)10-11-18(16)19/h6-12,14,19-21H,3-5H2,1-2H3/t14-,19?/m0/s1
InChIKeyZROMMWVKGQKTGW-KTQQKIMGSA-N
XLogP4.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 81382181
N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63449232
2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propane-1,3-diol
CID 65310523
5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115710200
5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 115903537
1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682339
N-[(1S)-1-(4-methylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466604
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682182
1-(1-cyclohexylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682320
N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43111218
6-methoxy-N-[(1R)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81395323

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 81347712) is 5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is Cc1ccc([C@H](C)NC2CCCc3cc(O)ccc32)cc1.
What is the InChIKey of 5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is ZROMMWVKGQKTGW-KTQQKIMGSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-6-8-15(9-7-13)14(2)20-19-5-3-4-16-12-17(21)10-11-18(16)19/h6-12,14,19-21H,3-5H2,1-2H3/t14-,19?/m0/s1.
What are the key properties of 5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 281.40 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 81347712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).