N-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine

C17H21NO2 — CID 61026469

IUPACN-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCCO2)c1ccoc1C
InChIInChI=1S/C17H21NO2/c1-3-18-17(15-8-10-19-12(15)2)14-6-7-16-13(11-14)5-4-9-20-16/h6-8,10-11,17-18H,3-5,9H2,1-2H3
InChIKeyPLWOAHRQRWIZKC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.61
Rot. Bonds4

About N-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine

N-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine (PubChem CID 61026469) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine
PubChem CID61026469
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCCO2)c1ccoc1C
InChIInChI=1S/C17H21NO2/c1-3-18-17(15-8-10-19-12(15)2)14-6-7-16-13(11-14)5-4-9-20-16/h6-8,10-11,17-18H,3-5,9H2,1-2H3
InChIKeyPLWOAHRQRWIZKC-UHFFFAOYSA-N
XLogP3.61
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)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-[3,4-dihydro-2H-chromen-6-yl-(4-iodophenyl)methyl]ethanamine
CID 61027766
N-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61026721
N-[2,3-dihydro-1-benzofuran-5-yl(phenyl)methyl]ethanamine
CID 43489842
N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine
CID 43489895
N-[(3-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methyl]ethanamine
CID 80643911
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine
CID 61027484
N-[(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 107981919
N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 107129150
N-[2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489820
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine
CID 61026967
N-[2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 63209957
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine
CID 63503929

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine (CID 61026469) is N-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine is CCNC(c1ccc2c(c1)CCCO2)c1ccoc1C.
What is the InChIKey of N-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine?
The InChIKey is PLWOAHRQRWIZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-18-17(15-8-10-19-12(15)2)14-6-7-16-13(11-14)5-4-9-20-16/h6-8,10-11,17-18H,3-5,9H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine?
N-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 61026469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).