(1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol

C10H12ClNO — CID 83908135

IUPAC(1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol
SMILESNC1(CO)CCc2c(Cl)cccc21
InChIInChI=1S/C10H12ClNO/c11-9-3-1-2-8-7(9)4-5-10(8,12)6-13/h1-3,13H,4-6,12H2
InChIKeyNCJCLIPSXIRIIU-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.43
Rot. Bonds1

About (1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol

(1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol (PubChem CID 83908135) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is (1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol.

Molecular Properties

Compound Name(1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol
PubChem CID83908135
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name(1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol
SMILESNC1(CO)CCc2c(Cl)cccc21
InChIInChI=1S/C10H12ClNO/c11-9-3-1-2-8-7(9)4-5-10(8,12)6-13/h1-3,13H,4-6,12H2
InChIKeyNCJCLIPSXIRIIU-UHFFFAOYSA-N
XLogP1.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol?
The IUPAC name of (1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol (CID 83908135) is (1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol.
What is the SMILES notation for (1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol?
The canonical SMILES for (1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol is NC1(CO)CCc2c(Cl)cccc21.
What is the InChIKey of (1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol?
The InChIKey is NCJCLIPSXIRIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-9-3-1-2-8-7(9)4-5-10(8,12)6-13/h1-3,13H,4-6,12H2.
What are the key properties of (1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol?
(1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol has a molecular weight of 197.67 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol is sourced from PubChem (CID 83908135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).