1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine

C19H23NO — CID 114745216

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cccc2c1OCCC2
InChIInChI=1S/C19H23NO/c1-14-8-10-15(11-9-14)13-18(20-2)17-7-3-5-16-6-4-12-21-19(16)17/h3,5,7-11,18,20H,4,6,12-13H2,1-2H3
InChIKeyCGXUFNLBATXPPL-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.82
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine

1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 114745216) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID114745216
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cccc2c1OCCC2
InChIInChI=1S/C19H23NO/c1-14-8-10-15(11-9-14)13-18(20-2)17-7-3-5-16-6-4-12-21-19(16)17/h3,5,7-11,18,20H,4,6,12-13H2,1-2H3
InChIKeyCGXUFNLBATXPPL-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine
CID 114744945
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 114745237
1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
CID 114745045
[1-(3,4-dihydro-2H-chromen-8-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198432
1-(3,4-dihydro-2H-chromen-8-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547239
[1-(3,4-dihydro-2H-chromen-8-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105212546
3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine
CID 105049036
N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine
CID 114744929
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105187245
1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine
CID 114745059
[1-(3,4-dihydro-2H-chromen-8-yl)-2-methylsulfanylethyl]hydrazine
CID 105214067
2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745282

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine (CID 114745216) is 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine is CNC(Cc1ccc(C)cc1)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is CGXUFNLBATXPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-8-10-15(11-9-14)13-18(20-2)17-7-3-5-16-6-4-12-21-19(16)17/h3,5,7-11,18,20H,4,6,12-13H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 114745216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).