1-(tert-butylamino)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride

C16H26ClNO3 — CID 163779890

IUPAC1-(tert-butylamino)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride
SMILESCOc1ccc2c(c1OC)CCC(O)C2NC(C)(C)C.Cl
InChIInChI=1S/C16H25NO3.ClH/c1-16(2,3)17-14-10-7-9-13(19-4)15(20-5)11(10)6-8-12(14)18;/h7,9,12,14,17-18H,6,8H2,1-5H3;1H
InChIKeyMNSYYTDCAMNTPG-UHFFFAOYSA-N
MW315.84 g/mol
LogP2.86
Rot. Bonds3

About 1-(tert-butylamino)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride

1-(tert-butylamino)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride (PubChem CID 163779890) has the molecular formula C16H26ClNO3 and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-(tert-butylamino)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(tert-butylamino)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride
PubChem CID163779890
Molecular FormulaC16H26ClNO3
Molecular Weight315.84 g/mol
Exact Mass315.16
IUPAC Name1-(tert-butylamino)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride
SMILESCOc1ccc2c(c1OC)CCC(O)C2NC(C)(C)C.Cl
InChIInChI=1S/C16H25NO3.ClH/c1-16(2,3)17-14-10-7-9-13(19-4)15(20-5)11(10)6-8-12(14)18;/h7,9,12,14,17-18H,6,8H2,1-5H3;1H
InChIKeyMNSYYTDCAMNTPG-UHFFFAOYSA-N
XLogP2.86
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol
CID 23730575
methyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate
CID 124559713
methyl 5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate
CID 11311593
5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 10561783
(1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 124843881
(3aS,9bR)-2-ethyl-6,7-dimethoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 54374242
6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83691109
3-benzyl-6,7-dimethoxy-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole;hydrochloride
CID 19793338
7,8-dimethoxy-1,2-dihydronaphthalen-2-ol
CID 174744187
1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141227278
4,5-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid;3-phenylpiperidin-4-amine
CID 69335608
5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 5073341

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride?
The IUPAC name of 1-(tert-butylamino)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride (CID 163779890) is 1-(tert-butylamino)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride.
What is the SMILES notation for 1-(tert-butylamino)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride?
The canonical SMILES for 1-(tert-butylamino)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride is COc1ccc2c(c1OC)CCC(O)C2NC(C)(C)C.Cl.
What is the InChIKey of 1-(tert-butylamino)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride?
The InChIKey is MNSYYTDCAMNTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3.ClH/c1-16(2,3)17-14-10-7-9-13(19-4)15(20-5)11(10)6-8-12(14)18;/h7,9,12,14,17-18H,6,8H2,1-5H3;1H.
What are the key properties of 1-(tert-butylamino)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride?
1-(tert-butylamino)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride has a molecular weight of 315.84 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride is sourced from PubChem (CID 163779890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).