8-amino-4-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol

C10H12ClNO2 — CID 130060029

IUPAC8-amino-4-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol
SMILESNC1CCCc2c(Cl)cc(O)c(O)c21
InChIInChI=1S/C10H12ClNO2/c11-6-4-8(13)10(14)9-5(6)2-1-3-7(9)12/h4,7,13-14H,1-3,12H2
InChIKeyDGWIKCLNQKLDMW-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.09
Rot. Bonds

About 8-amino-4-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol

8-amino-4-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol (PubChem CID 130060029) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 8-amino-4-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol.

Molecular Properties

Compound Name8-amino-4-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol
PubChem CID130060029
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name8-amino-4-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol
SMILESNC1CCCc2c(Cl)cc(O)c(O)c21
InChIInChI=1S/C10H12ClNO2/c11-6-4-8(13)10(14)9-5(6)2-1-3-7(9)12/h4,7,13-14H,1-3,12H2
InChIKeyDGWIKCLNQKLDMW-UHFFFAOYSA-N
XLogP2.09
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115484988
(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
(1R)-5-chloro-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 107477727
(1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol
CID 55278137
3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride
CID 12857263
(3R)-7-chloro-3-(5-chloro-2-hydroxyphenyl)-2,3-dihydro-1H-inden-4-ol
CID 134510335
(5S)-5-amino-4-ethyl-5,6,7,8-tetrahydronaphthalen-1-ol
CID 131096656
(1R)-6-chloro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130624873
(8R)-8-amino-5,6,7,8-tetrahydronaphthalen-1-ol
CID 130673743
(1R)-1-amino-5,7-difluoro-2,3-dihydro-1H-inden-4-ol
CID 55274996
(1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130612015

Frequently Asked Questions

What is the IUPAC name of 8-amino-4-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol?
The IUPAC name of 8-amino-4-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol (CID 130060029) is 8-amino-4-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol.
What is the SMILES notation for 8-amino-4-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol?
The canonical SMILES for 8-amino-4-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol is NC1CCCc2c(Cl)cc(O)c(O)c21.
What is the InChIKey of 8-amino-4-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol?
The InChIKey is DGWIKCLNQKLDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-6-4-8(13)10(14)9-5(6)2-1-3-7(9)12/h4,7,13-14H,1-3,12H2.
What are the key properties of 8-amino-4-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol?
8-amino-4-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol has a molecular weight of 213.66 g/mol, XLogP of 2.09, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol is sourced from PubChem (CID 130060029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).