7-chloro-3,4-dihydro-2H-chromen-3-amine;hydrochloride

C9H11Cl2NO — CID 3041602

IUPAC7-chloro-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCl.NC1COc2cc(Cl)ccc2C1
InChIInChI=1S/C9H10ClNO.ClH/c10-7-2-1-6-3-8(11)5-12-9(6)4-7;/h1-2,4,8H,3,5,11H2;1H
InChIKeyAOGOCJVZCAKDON-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.02
Rot. Bonds

About 7-chloro-3,4-dihydro-2H-chromen-3-amine;hydrochloride

7-chloro-3,4-dihydro-2H-chromen-3-amine;hydrochloride (PubChem CID 3041602) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 7-chloro-3,4-dihydro-2H-chromen-3-amine;hydrochloride.

Molecular Properties

Compound Name7-chloro-3,4-dihydro-2H-chromen-3-amine;hydrochloride
PubChem CID3041602
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name7-chloro-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCl.NC1COc2cc(Cl)ccc2C1
InChIInChI=1S/C9H10ClNO.ClH/c10-7-2-1-6-3-8(11)5-12-9(6)4-7;/h1-2,4,8H,3,5,11H2;1H
InChIKeyAOGOCJVZCAKDON-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The IUPAC name of 7-chloro-3,4-dihydro-2H-chromen-3-amine;hydrochloride (CID 3041602) is 7-chloro-3,4-dihydro-2H-chromen-3-amine;hydrochloride.
What is the SMILES notation for 7-chloro-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The canonical SMILES for 7-chloro-3,4-dihydro-2H-chromen-3-amine;hydrochloride is Cl.NC1COc2cc(Cl)ccc2C1.
What is the InChIKey of 7-chloro-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The InChIKey is AOGOCJVZCAKDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO.ClH/c10-7-2-1-6-3-8(11)5-12-9(6)4-7;/h1-2,4,8H,3,5,11H2;1H.
What are the key properties of 7-chloro-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
7-chloro-3,4-dihydro-2H-chromen-3-amine;hydrochloride has a molecular weight of 220.10 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,4-dihydro-2H-chromen-3-amine;hydrochloride is sourced from PubChem (CID 3041602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).