N-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine

C17H27NO2 — CID 103283499

IUPACN-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine
SMILESCCCC(C)COC1COc2ccccc2C1NCC
InChIInChI=1S/C17H27NO2/c1-4-8-13(3)11-19-16-12-20-15-10-7-6-9-14(15)17(16)18-5-2/h6-7,9-10,13,16-18H,4-5,8,11-12H2,1-3H3
InChIKeyKGRKJFHWGDPPRO-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.55
Rot. Bonds7

About N-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine

N-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103283499) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine
PubChem CID103283499
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine
SMILESCCCC(C)COC1COc2ccccc2C1NCC
InChIInChI=1S/C17H27NO2/c1-4-8-13(3)11-19-16-12-20-15-10-7-6-9-14(15)17(16)18-5-2/h6-7,9-10,13,16-18H,4-5,8,11-12H2,1-3H3
InChIKeyKGRKJFHWGDPPRO-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(3-methylbutan-2-ylsulfanyl)-3,4-dihydro-2H-chromen-4-amine
CID 107763378
[1-(2,3-dihydro-1-benzofuran-3-yl)-3-methylhexyl]hydrazine
CID 105262689
3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol
CID 107772473
3-(3-methylbutylsulfanyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 107763958
3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 104523746
N-ethyl-3-prop-2-enylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 114272351
methyl 2-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]acetate
CID 64615419
2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol
CID 66102789
N-ethyl-3-pentylsulfonyl-3,4-dihydro-2H-chromen-4-amine
CID 107758627
3-(3-methoxypyrrolidin-1-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 103532266
N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103495167
(2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine
CID 129423692

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine (CID 103283499) is N-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine is CCCC(C)COC1COc2ccccc2C1NCC.
What is the InChIKey of N-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is KGRKJFHWGDPPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-8-13(3)11-19-16-12-20-15-10-7-6-9-14(15)17(16)18-5-2/h6-7,9-10,13,16-18H,4-5,8,11-12H2,1-3H3.
What are the key properties of N-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103283499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).