3-[2-[cyclohexylmethyl(methyl)amino]ethyl]-2,3-dihydrochromen-4-one;hydrochloride

C19H28ClNO2 — CID 67849593

IUPAC3-[2-[cyclohexylmethyl(methyl)amino]ethyl]-2,3-dihydrochromen-4-one;hydrochloride
SMILESCN(CCC1COc2ccccc2C1=O)CC1CCCCC1.Cl
InChIInChI=1S/C19H27NO2.ClH/c1-20(13-15-7-3-2-4-8-15)12-11-16-14-22-18-10-6-5-9-17(18)19(16)21;/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3;1H
InChIKeyGLWDZISLNTVQDN-UHFFFAOYSA-N
MW337.89 g/mol
LogP4.20
Rot. Bonds5

About 3-[2-[cyclohexylmethyl(methyl)amino]ethyl]-2,3-dihydrochromen-4-one;hydrochloride

3-[2-[cyclohexylmethyl(methyl)amino]ethyl]-2,3-dihydrochromen-4-one;hydrochloride (PubChem CID 67849593) has the molecular formula C19H28ClNO2 and a molecular weight of 337.89 g/mol. Its IUPAC name is 3-[2-[cyclohexylmethyl(methyl)amino]ethyl]-2,3-dihydrochromen-4-one;hydrochloride.

Molecular Properties

Compound Name3-[2-[cyclohexylmethyl(methyl)amino]ethyl]-2,3-dihydrochromen-4-one;hydrochloride
PubChem CID67849593
Molecular FormulaC19H28ClNO2
Molecular Weight337.89 g/mol
Exact Mass337.18
IUPAC Name3-[2-[cyclohexylmethyl(methyl)amino]ethyl]-2,3-dihydrochromen-4-one;hydrochloride
SMILESCN(CCC1COc2ccccc2C1=O)CC1CCCCC1.Cl
InChIInChI=1S/C19H27NO2.ClH/c1-20(13-15-7-3-2-4-8-15)12-11-16-14-22-18-10-6-5-9-17(18)19(16)21;/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3;1H
InChIKeyGLWDZISLNTVQDN-UHFFFAOYSA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclohexylmethyl(methyl)amino]ethyl]-2,3-dihydrochromen-4-one;hydrochloride?
The IUPAC name of 3-[2-[cyclohexylmethyl(methyl)amino]ethyl]-2,3-dihydrochromen-4-one;hydrochloride (CID 67849593) is 3-[2-[cyclohexylmethyl(methyl)amino]ethyl]-2,3-dihydrochromen-4-one;hydrochloride.
What is the SMILES notation for 3-[2-[cyclohexylmethyl(methyl)amino]ethyl]-2,3-dihydrochromen-4-one;hydrochloride?
The canonical SMILES for 3-[2-[cyclohexylmethyl(methyl)amino]ethyl]-2,3-dihydrochromen-4-one;hydrochloride is CN(CCC1COc2ccccc2C1=O)CC1CCCCC1.Cl.
What is the InChIKey of 3-[2-[cyclohexylmethyl(methyl)amino]ethyl]-2,3-dihydrochromen-4-one;hydrochloride?
The InChIKey is GLWDZISLNTVQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2.ClH/c1-20(13-15-7-3-2-4-8-15)12-11-16-14-22-18-10-6-5-9-17(18)19(16)21;/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3;1H.
What are the key properties of 3-[2-[cyclohexylmethyl(methyl)amino]ethyl]-2,3-dihydrochromen-4-one;hydrochloride?
3-[2-[cyclohexylmethyl(methyl)amino]ethyl]-2,3-dihydrochromen-4-one;hydrochloride has a molecular weight of 337.89 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclohexylmethyl(methyl)amino]ethyl]-2,3-dihydrochromen-4-one;hydrochloride is sourced from PubChem (CID 67849593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).