N-ethyl-7-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride

C12H18ClNO — CID 3042823

IUPACN-ethyl-7-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCCNC1COc2cc(C)ccc2C1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-3-13-11-7-10-5-4-9(2)6-12(10)14-8-11;/h4-6,11,13H,3,7-8H2,1-2H3;1H
InChIKeyKMCYBNXIKJOXMT-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.33
Rot. Bonds2

About N-ethyl-7-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride

N-ethyl-7-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride (PubChem CID 3042823) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is N-ethyl-7-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-7-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
PubChem CID3042823
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC NameN-ethyl-7-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCCNC1COc2cc(C)ccc2C1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-3-13-11-7-10-5-4-9(2)6-12(10)14-8-11;/h4-6,11,13H,3,7-8H2,1-2H3;1H
InChIKeyKMCYBNXIKJOXMT-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The IUPAC name of N-ethyl-7-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride (CID 3042823) is N-ethyl-7-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride.
What is the SMILES notation for N-ethyl-7-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The canonical SMILES for N-ethyl-7-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride is CCNC1COc2cc(C)ccc2C1.Cl.
What is the InChIKey of N-ethyl-7-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The InChIKey is KMCYBNXIKJOXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-3-13-11-7-10-5-4-9(2)6-12(10)14-8-11;/h4-6,11,13H,3,7-8H2,1-2H3;1H.
What are the key properties of N-ethyl-7-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
N-ethyl-7-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride has a molecular weight of 227.73 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride is sourced from PubChem (CID 3042823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).