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

C16H15ClFNO — CID 107089756

IUPAC3-amino-1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(Cc2cccc(Cl)c2F)c2ccccc21
InChIInChI=1S/C16H15ClFNO/c17-13-7-3-4-10(15(13)18)8-16(20)9-14(19)11-5-1-2-6-12(11)16/h1-7,14,20H,8-9,19H2
InChIKeyHJTBKQULAPJCTF-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.31
Rot. Bonds2

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

3-amino-1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 107089756) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 3-amino-1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
PubChem CID107089756
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name3-amino-1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(Cc2cccc(Cl)c2F)c2ccccc21
InChIInChI=1S/C16H15ClFNO/c17-13-7-3-4-10(15(13)18)8-16(20)9-14(19)11-5-1-2-6-12(11)16/h1-7,14,20H,8-9,19H2
InChIKeyHJTBKQULAPJCTF-UHFFFAOYSA-N
XLogP3.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-ol (CID 107089756) is 3-amino-1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-ol is NC1CC(O)(Cc2cccc(Cl)c2F)c2ccccc21.
What is the InChIKey of 3-amino-1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is HJTBKQULAPJCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c17-13-7-3-4-10(15(13)18)8-16(20)9-14(19)11-5-1-2-6-12(11)16/h1-7,14,20H,8-9,19H2.
What are the key properties of 3-amino-1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-ol?
3-amino-1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 291.75 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).