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

C19H23NO — CID 114744929

IUPACN-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1cccc2c1OCCC2
InChIInChI=1S/C19H23NO/c1-3-20-18(15-11-9-14(2)10-12-15)17-8-4-6-16-7-5-13-21-19(16)17/h4,6,8-12,18,20H,3,5,7,13H2,1-2H3
InChIKeyYNEOVGXMAKHDRP-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.02
Rot. Bonds4

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

N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine (PubChem CID 114744929) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine
PubChem CID114744929
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1cccc2c1OCCC2
InChIInChI=1S/C19H23NO/c1-3-20-18(15-11-9-14(2)10-12-15)17-8-4-6-16-7-5-13-21-19(16)17/h4,6,8-12,18,20H,3,5,7,13H2,1-2H3
InChIKeyYNEOVGXMAKHDRP-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 114744924
N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923918
N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine
CID 114744967
N-[2,3-dihydro-1-benzofuran-7-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105053520
N-[3,4-dihydro-2H-chromen-8-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114745509
N-[3,4-dihydro-2H-chromen-8-yl(furan-2-yl)methyl]ethanamine
CID 114745255
N-[3,4-dihydro-2H-chromen-8-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 114745552
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
CID 114745005
N-[(5-bromothiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 114745403
N-[(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 105049023
N-[2,3-dihydro-1-benzofuran-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923948
N-[(3-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 114744933

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine (CID 114744929) is N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1)c1cccc2c1OCCC2.
What is the InChIKey of N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine?
The InChIKey is YNEOVGXMAKHDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-20-18(15-11-9-14(2)10-12-15)17-8-4-6-16-7-5-13-21-19(16)17/h4,6,8-12,18,20H,3,5,7,13H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine?
N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 114744929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).