2-[1-(aminomethyl)-5-chloro-2,3-dihydroinden-1-yl]acetic acid;hydrochloride

C12H15Cl2NO2 — CID 45259589

IUPAC2-[1-(aminomethyl)-5-chloro-2,3-dihydroinden-1-yl]acetic acid;hydrochloride
SMILESCl.NCC1(CC(=O)O)CCc2cc(Cl)ccc21
InChIInChI=1S/C12H14ClNO2.ClH/c13-9-1-2-10-8(5-9)3-4-12(10,7-14)6-11(15)16;/h1-2,5H,3-4,6-7,14H2,(H,15,16);1H
InChIKeyFSFBRAQUYIXBCI-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.38
Rot. Bonds3

About 2-[1-(aminomethyl)-5-chloro-2,3-dihydroinden-1-yl]acetic acid;hydrochloride

2-[1-(aminomethyl)-5-chloro-2,3-dihydroinden-1-yl]acetic acid;hydrochloride (PubChem CID 45259589) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-5-chloro-2,3-dihydroinden-1-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[1-(aminomethyl)-5-chloro-2,3-dihydroinden-1-yl]acetic acid;hydrochloride
PubChem CID45259589
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name2-[1-(aminomethyl)-5-chloro-2,3-dihydroinden-1-yl]acetic acid;hydrochloride
SMILESCl.NCC1(CC(=O)O)CCc2cc(Cl)ccc21
InChIInChI=1S/C12H14ClNO2.ClH/c13-9-1-2-10-8(5-9)3-4-12(10,7-14)6-11(15)16;/h1-2,5H,3-4,6-7,14H2,(H,15,16);1H
InChIKeyFSFBRAQUYIXBCI-UHFFFAOYSA-N
XLogP2.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-5-chloro-2,3-dihydroinden-1-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[1-(aminomethyl)-5-chloro-2,3-dihydroinden-1-yl]acetic acid;hydrochloride (CID 45259589) is 2-[1-(aminomethyl)-5-chloro-2,3-dihydroinden-1-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[1-(aminomethyl)-5-chloro-2,3-dihydroinden-1-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[1-(aminomethyl)-5-chloro-2,3-dihydroinden-1-yl]acetic acid;hydrochloride is Cl.NCC1(CC(=O)O)CCc2cc(Cl)ccc21.
What is the InChIKey of 2-[1-(aminomethyl)-5-chloro-2,3-dihydroinden-1-yl]acetic acid;hydrochloride?
The InChIKey is FSFBRAQUYIXBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2.ClH/c13-9-1-2-10-8(5-9)3-4-12(10,7-14)6-11(15)16;/h1-2,5H,3-4,6-7,14H2,(H,15,16);1H.
What are the key properties of 2-[1-(aminomethyl)-5-chloro-2,3-dihydroinden-1-yl]acetic acid;hydrochloride?
2-[1-(aminomethyl)-5-chloro-2,3-dihydroinden-1-yl]acetic acid;hydrochloride has a molecular weight of 276.16 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-5-chloro-2,3-dihydroinden-1-yl]acetic acid;hydrochloride is sourced from PubChem (CID 45259589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).