1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine

C18H29NO2 — CID 114746271

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine
SMILESCCNC(c1cccc2c1OCCC2)C(CC)(CC)OC
InChIInChI=1S/C18H29NO2/c1-5-18(6-2,20-4)17(19-7-3)15-12-8-10-14-11-9-13-21-16(14)15/h8,10,12,17,19H,5-7,9,11,13H2,1-4H3
InChIKeyKAUKHOGAHNBTDK-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.87
Rot. Bonds7

About 1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine

1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine (PubChem CID 114746271) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine
PubChem CID114746271
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine
SMILESCCNC(c1cccc2c1OCCC2)C(CC)(CC)OC
InChIInChI=1S/C18H29NO2/c1-5-18(6-2,20-4)17(19-7-3)15-12-8-10-14-11-9-13-21-16(14)15/h8,10,12,17,19H,5-7,9,11,13H2,1-4H3
InChIKeyKAUKHOGAHNBTDK-UHFFFAOYSA-N
XLogP3.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 114746254
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 105053334
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-4-methoxypentan-1-amine
CID 105187250
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
CID 114745005
1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine
CID 114746248
1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine
CID 114746243
1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine
CID 114745059
N-[3,4-dihydro-2H-chromen-8-yl(furan-2-yl)methyl]ethanamine
CID 114745255
N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine
CID 114744929
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)-2-methylbutan-1-ol
CID 114743364
N-[(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 114744924

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine (CID 114746271) is 1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine is CCNC(c1cccc2c1OCCC2)C(CC)(CC)OC.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine?
The InChIKey is KAUKHOGAHNBTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-18(6-2,20-4)17(19-7-3)15-12-8-10-14-11-9-13-21-16(14)15/h8,10,12,17,19H,5-7,9,11,13H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine?
1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine is sourced from PubChem (CID 114746271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).