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

C18H21NO — CID 61032565

IUPACN-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H21NO/c1-2-19-13-16-6-3-4-8-17(16)14-9-10-18-15(12-14)7-5-11-20-18/h3-4,6,8-10,12,19H,2,5,7,11,13H2,1H3
InChIKeyGCSDXAARYHKCQJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.79
Rot. Bonds4

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

N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine (PubChem CID 61032565) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine
PubChem CID61032565
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H21NO/c1-2-19-13-16-6-3-4-8-17(16)14-9-10-18-15(12-14)7-5-11-20-18/h3-4,6,8-10,12,19H,2,5,7,11,13H2,1H3
InChIKeyGCSDXAARYHKCQJ-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine
CID 61034297
N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine
CID 105409957
1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910597
N-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine
CID 106888721
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine
CID 61032684
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine
CID 114746594
N-[[2-(4-chlorophenyl)phenyl]methyl]ethanamine
CID 54911635
6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene
CID 126760659
[4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine
CID 82479154
6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine
CID 65306061
2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline
CID 54912524

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine (CID 61032565) is N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine is CCNCc1ccccc1-c1ccc2c(c1)CCCO2.
What is the InChIKey of N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine?
The InChIKey is GCSDXAARYHKCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-19-13-16-6-3-4-8-17(16)14-9-10-18-15(12-14)7-5-11-20-18/h3-4,6,8-10,12,19H,2,5,7,11,13H2,1H3.
What are the key properties of N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine?
N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 61032565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).