1-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-ol

C10H11Cl2NO — CID 45043209

IUPAC1-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESNC1c2cc(Cl)cc(Cl)c2CCC1O
InChIInChI=1S/C10H11Cl2NO/c11-5-3-7-6(8(12)4-5)1-2-9(14)10(7)13/h3-4,9-10,14H,1-2,13H2
InChIKeyIKXGQSRJGUAIKS-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.30
Rot. Bonds

About 1-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-ol

1-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 45043209) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 1-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID45043209
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name1-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESNC1c2cc(Cl)cc(Cl)c2CCC1O
InChIInChI=1S/C10H11Cl2NO/c11-5-3-7-6(8(12)4-5)1-2-9(14)10(7)13/h3-4,9-10,14H,1-2,13H2
InChIKeyIKXGQSRJGUAIKS-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 71432274
(1S)-1,4,6-trichloro-2,3-dihydro-1H-indene
CID 94828375
(1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 51441576
5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71432271
(1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol
CID 51557059
7,9-dichloro-4-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82887765
3-[(4,6-dichloro-2,3-dihydro-1H-inden-1-yl)-methylamino]cyclobutan-1-ol
CID 166342495
(4S)-6,8-dichloro-3,4-dihydro-1H-isothiochromen-4-amine
CID 82886411
5,7-dichloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline
CID 62373756
(3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol
CID 99909432
(1R)-6-chloro-4-methyl-2,3-dihydro-1H-inden-1-amine
CID 55275438
6-chloro-4-methyl-2,3-dihydro-1H-inden-1-ol;ethane
CID 176973341

Frequently Asked Questions

What is the IUPAC name of 1-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-ol (CID 45043209) is 1-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-ol is NC1c2cc(Cl)cc(Cl)c2CCC1O.
What is the InChIKey of 1-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is IKXGQSRJGUAIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c11-5-3-7-6(8(12)4-5)1-2-9(14)10(7)13/h3-4,9-10,14H,1-2,13H2.
What are the key properties of 1-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-ol?
1-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 232.11 g/mol, XLogP of 2.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 45043209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).