1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine

C18H29NO — CID 104770351

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine
SMILESCCNC(CC1CCOc2ccccc21)CC(C)(C)C
InChIInChI=1S/C18H29NO/c1-5-19-15(13-18(2,3)4)12-14-10-11-20-17-9-7-6-8-16(14)17/h6-9,14-15,19H,5,10-13H2,1-4H3
InChIKeyPXCIXPOITPZPGJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.36
Rot. Bonds5

About 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine

1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine (PubChem CID 104770351) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine
PubChem CID104770351
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine
SMILESCCNC(CC1CCOc2ccccc21)CC(C)(C)C
InChIInChI=1S/C18H29NO/c1-5-19-15(13-18(2,3)4)12-14-10-11-20-17-9-7-6-8-16(14)17/h6-9,14-15,19H,5,10-13H2,1-4H3
InChIKeyPXCIXPOITPZPGJ-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 104770504
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 104770157
1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine
CID 105034256
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770384
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
CID 104770235
1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770185
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
CID 104770514
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 104770367
5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine
CID 104771905

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine (CID 104770351) is 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine is CCNC(CC1CCOc2ccccc21)CC(C)(C)C.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine?
The InChIKey is PXCIXPOITPZPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-15(13-18(2,3)4)12-14-10-11-20-17-9-7-6-8-16(14)17/h6-9,14-15,19H,5,10-13H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 104770351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).