5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol

C17H18ClNO2 — CID 80562940

IUPAC5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol
SMILESCOc1ccc(Cl)cc1CC1(O)CCc2cc(N)ccc21
InChIInChI=1S/C17H18ClNO2/c1-21-16-5-2-13(18)8-12(16)10-17(20)7-6-11-9-14(19)3-4-15(11)17/h2-5,8-9,20H,6-7,10,19H2,1H3
InChIKeyWZHQEUNHLHYUBU-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.31
Rot. Bonds3

About 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol

5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 80562940) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol
PubChem CID80562940
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol
SMILESCOc1ccc(Cl)cc1CC1(O)CCc2cc(N)ccc21
InChIInChI=1S/C17H18ClNO2/c1-21-16-5-2-13(18)8-12(16)10-17(20)7-6-11-9-14(19)3-4-15(11)17/h2-5,8-9,20H,6-7,10,19H2,1H3
InChIKeyWZHQEUNHLHYUBU-UHFFFAOYSA-N
XLogP3.31
TPSA55.48 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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146901
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
CID 66034885
1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 62620308
5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol
CID 80562890
4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine
CID 112563142
1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823676
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154299
3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65147101
5-amino-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol
CID 80562861
1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol
CID 65153588
1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116576466
5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one
CID 43646691

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol (CID 80562940) is 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol is COc1ccc(Cl)cc1CC1(O)CCc2cc(N)ccc21.
What is the InChIKey of 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is WZHQEUNHLHYUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-21-16-5-2-13(18)8-12(16)10-17(20)7-6-11-9-14(19)3-4-15(11)17/h2-5,8-9,20H,6-7,10,19H2,1H3.
What are the key properties of 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol?
5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 303.79 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 80562940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).