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

C18H27NO2 — CID 114745944

IUPACN-[3,4-dihydro-2H-chromen-8-yl-(2-methyloxan-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc2c1OCCC2)C1(C)CCCCO1
InChIInChI=1S/C18H27NO2/c1-3-19-17(18(2)11-4-5-13-21-18)15-10-6-8-14-9-7-12-20-16(14)15/h6,8,10,17,19H,3-5,7,9,11-13H2,1-2H3
InChIKeyHEUYGMCZHHYGDF-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.62
Rot. Bonds4

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

N-[3,4-dihydro-2H-chromen-8-yl-(2-methyloxan-2-yl)methyl]ethanamine (PubChem CID 114745944) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-chromen-8-yl-(2-methyloxan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-chromen-8-yl-(2-methyloxan-2-yl)methyl]ethanamine
PubChem CID114745944
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[3,4-dihydro-2H-chromen-8-yl-(2-methyloxan-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc2c1OCCC2)C1(C)CCCCO1
InChIInChI=1S/C18H27NO2/c1-3-19-17(18(2)11-4-5-13-21-18)15-10-6-8-14-9-7-12-20-16(14)15/h6,8,10,17,19H,3-5,7,9,11-13H2,1-2H3
InChIKeyHEUYGMCZHHYGDF-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
CID 114745005
N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine
CID 114744929
N-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine
CID 81229913
N-[(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 114744924
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830699
N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923918
N-[3,4-dihydro-2H-chromen-8-yl(furan-2-yl)methyl]ethanamine
CID 114745255
N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine
CID 114744967
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,2-diethyl-2-methoxybutan-1-amine
CID 114746271
N-[3,4-dihydro-2H-chromen-8-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114745509
1-(3,4-dihydro-2H-chromen-8-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 114746173

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-chromen-8-yl-(2-methyloxan-2-yl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-chromen-8-yl-(2-methyloxan-2-yl)methyl]ethanamine (CID 114745944) is N-[3,4-dihydro-2H-chromen-8-yl-(2-methyloxan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-chromen-8-yl-(2-methyloxan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-chromen-8-yl-(2-methyloxan-2-yl)methyl]ethanamine is CCNC(c1cccc2c1OCCC2)C1(C)CCCCO1.
What is the InChIKey of N-[3,4-dihydro-2H-chromen-8-yl-(2-methyloxan-2-yl)methyl]ethanamine?
The InChIKey is HEUYGMCZHHYGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-19-17(18(2)11-4-5-13-21-18)15-10-6-8-14-9-7-12-20-16(14)15/h6,8,10,17,19H,3-5,7,9,11-13H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-chromen-8-yl-(2-methyloxan-2-yl)methyl]ethanamine?
N-[3,4-dihydro-2H-chromen-8-yl-(2-methyloxan-2-yl)methyl]ethanamine has a molecular weight of 289.42 g/mol, XLogP of 3.62, 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-8-yl-(2-methyloxan-2-yl)methyl]ethanamine is sourced from PubChem (CID 114745944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).