2-chloro-4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]phenol

C17H18ClNO2 — CID 107678292

IUPAC2-chloro-4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]phenol
SMILESCOc1ccc2c(c1)CCCC2Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-21-13-6-7-14-11(9-13)3-2-4-16(14)19-12-5-8-17(20)15(18)10-12/h5-10,16,19-20H,2-4H2,1H3
InChIKeyMAOFOHLFWGCZQL-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.54
Rot. Bonds3

About 2-chloro-4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]phenol

2-chloro-4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]phenol (PubChem CID 107678292) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]phenol.

Molecular Properties

Compound Name2-chloro-4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]phenol
PubChem CID107678292
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-chloro-4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]phenol
SMILESCOc1ccc2c(c1)CCCC2Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-21-13-6-7-14-11(9-13)3-2-4-16(14)19-12-5-8-17(20)15(18)10-12/h5-10,16,19-20H,2-4H2,1H3
InChIKeyMAOFOHLFWGCZQL-UHFFFAOYSA-N
XLogP4.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 107678368
N-(3-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43094337
N-(4-fluoro-3-methylphenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62810888
1-(3-chloro-4-methoxyphenyl)-3-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 100728492
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
2-chloro-N-[2-fluoro-1-(3-methoxyphenyl)ethyl]-4-[[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzenesulfonamide
CID 167983843
7-methoxy-N-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239327
2-(2-chlorophenyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100633564
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 78319340
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239496
(2R)-2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119289450

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]phenol?
The IUPAC name of 2-chloro-4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]phenol (CID 107678292) is 2-chloro-4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]phenol.
What is the SMILES notation for 2-chloro-4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]phenol?
The canonical SMILES for 2-chloro-4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]phenol is COc1ccc2c(c1)CCCC2Nc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]phenol?
The InChIKey is MAOFOHLFWGCZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-21-13-6-7-14-11(9-13)3-2-4-16(14)19-12-5-8-17(20)15(18)10-12/h5-10,16,19-20H,2-4H2,1H3.
What are the key properties of 2-chloro-4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]phenol?
2-chloro-4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]phenol has a molecular weight of 303.79 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]phenol is sourced from PubChem (CID 107678292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).