1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine

C18H21NO — CID 61032925

IUPAC1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C18H21NO/c1-13(19-2)14-5-7-15(8-6-14)16-9-10-18-17(12-16)4-3-11-20-18/h5-10,12-13,19H,3-4,11H2,1-2H3
InChIKeyBDPUEYVKXMBXTF-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.96
Rot. Bonds3

About 1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine

1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine (PubChem CID 61032925) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
PubChem CID61032925
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C18H21NO/c1-13(19-2)14-5-7-15(8-6-14)16-9-10-18-17(12-16)4-3-11-20-18/h5-10,12-13,19H,3-4,11H2,1-2H3
InChIKeyBDPUEYVKXMBXTF-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
CID 82775201
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene
CID 126760659
1-(3,5-dibromophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107979805
1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine
CID 116948587
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 61027887
1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine
CID 61032684
1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclopropan-1-amine
CID 116961239
2-(3,4-dihydro-2H-chromen-6-yl)propanethial
CID 123536385
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81347474
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 61027481

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine (CID 61032925) is 1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine is CNC(C)c1ccc(-c2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine?
The InChIKey is BDPUEYVKXMBXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(19-2)14-5-7-15(8-6-14)16-9-10-18-17(12-16)4-3-11-20-18/h5-10,12-13,19H,3-4,11H2,1-2H3.
What are the key properties of 1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine?
1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine has a molecular weight of 267.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 61032925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).