(8S)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol

C17H19NO — CID 70366538

IUPAC(8S)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESN[C@@H]1c2cc(O)ccc2CCC1Cc1ccccc1
InChIInChI=1S/C17H19NO/c18-17-14(10-12-4-2-1-3-5-12)7-6-13-8-9-15(19)11-16(13)17/h1-5,8-9,11,14,17,19H,6-7,10,18H2/t14?,17-/m0/s1
InChIKeyYCRCOMPMUWDEBK-JRZJBTRGSA-N
MW253.35 g/mol
LogP3.20
Rot. Bonds2

About (8S)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol

(8S)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 70366538) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (8S)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(8S)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID70366538
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(8S)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESN[C@@H]1c2cc(O)ccc2CCC1Cc1ccccc1
InChIInChI=1S/C17H19NO/c18-17-14(10-12-4-2-1-3-5-12)7-6-13-8-9-15(19)11-16(13)17/h1-5,8-9,11,14,17,19H,6-7,10,18H2/t14?,17-/m0/s1
InChIKeyYCRCOMPMUWDEBK-JRZJBTRGSA-N
XLogP3.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(8R)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 70366570
7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol
CID 139779177
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
[(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 96762744
7-(aminomethyl)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 115057280
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
6-[(4-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403689
1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 159439876
1-benzyl-7-(3-cyclopropylsulfonylpropoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 161388678
2-[(5-chloro-2-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103047213
2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 46230878
(1S)-1-benzyl-2,3-dihydro-1H-indene
CID 134957742

Frequently Asked Questions

What is the IUPAC name of (8S)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (8S)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 70366538) is (8S)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (8S)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (8S)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol is N[C@@H]1c2cc(O)ccc2CCC1Cc1ccccc1.
What is the InChIKey of (8S)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is YCRCOMPMUWDEBK-JRZJBTRGSA-N. The full InChI is InChI=1S/C17H19NO/c18-17-14(10-12-4-2-1-3-5-12)7-6-13-8-9-15(19)11-16(13)17/h1-5,8-9,11,14,17,19H,6-7,10,18H2/t14?,17-/m0/s1.
What are the key properties of (8S)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol?
(8S)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 253.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 70366538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).