2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride

C12H18ClNO — CID 46736559

IUPAC2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride
SMILESCc1ccc2c(c1)OC(C)(C)CC2N.Cl
InChIInChI=1S/C12H17NO.ClH/c1-8-4-5-9-10(13)7-12(2,3)14-11(9)6-8;/h4-6,10H,7,13H2,1-3H3;1H
InChIKeyLKWTZLIPPKWQEF-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.98
Rot. Bonds

About 2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride

2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride (PubChem CID 46736559) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride.

Molecular Properties

Compound Name2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride
PubChem CID46736559
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride
SMILESCc1ccc2c(c1)OC(C)(C)CC2N.Cl
InChIInChI=1S/C12H17NO.ClH/c1-8-4-5-9-10(13)7-12(2,3)14-11(9)6-8;/h4-6,10H,7,13H2,1-3H3;1H
InChIKeyLKWTZLIPPKWQEF-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride?
The IUPAC name of 2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride (CID 46736559) is 2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride.
What is the SMILES notation for 2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride?
The canonical SMILES for 2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride is Cc1ccc2c(c1)OC(C)(C)CC2N.Cl.
What is the InChIKey of 2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride?
The InChIKey is LKWTZLIPPKWQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-8-4-5-9-10(13)7-12(2,3)14-11(9)6-8;/h4-6,10H,7,13H2,1-3H3;1H.
What are the key properties of 2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride?
2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride is sourced from PubChem (CID 46736559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).