1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol

C17H18ClNO2 — CID 103291925

IUPAC1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCOc1cccc(Cl)c1CNC1CCc2c(O)cccc21
InChIInChI=1S/C17H18ClNO2/c1-21-17-7-3-5-14(18)13(17)10-19-15-9-8-12-11(15)4-2-6-16(12)20/h2-7,15,19-20H,8-10H2,1H3
InChIKeyKTKQTEHMNPDSRC-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.83
Rot. Bonds4

About 1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol

1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 103291925) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
PubChem CID103291925
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCOc1cccc(Cl)c1CNC1CCc2c(O)cccc21
InChIInChI=1S/C17H18ClNO2/c1-21-17-7-3-5-14(18)13(17)10-19-15-9-8-12-11(15)4-2-6-16(12)20/h2-7,15,19-20H,8-10H2,1H3
InChIKeyKTKQTEHMNPDSRC-UHFFFAOYSA-N
XLogP3.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 43636953
2-[[(4-bromo-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]-3-chlorophenol
CID 167981267
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104815987
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978105
N-[(2-chloro-6-methoxyphenyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 103292030
(1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 95588885
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671630
methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 43637145
N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine
CID 103292227
N-[(2-chloro-6-methoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 104815757
4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 119123661

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol (CID 103291925) is 1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol is COc1cccc(Cl)c1CNC1CCc2c(O)cccc21.
What is the InChIKey of 1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is KTKQTEHMNPDSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-21-17-7-3-5-14(18)13(17)10-19-15-9-8-12-11(15)4-2-6-16(12)20/h2-7,15,19-20H,8-10H2,1H3.
What are the key properties of 1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 303.79 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 103291925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).