3-(diethylaminomethyl)-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine

C19H32N2O — CID 82188307

IUPAC3-(diethylaminomethyl)-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine
SMILESCCN(CC)CC1C(N)c2cccc(C(C)C)c2OC1(C)C
InChIInChI=1S/C19H32N2O/c1-7-21(8-2)12-16-17(20)15-11-9-10-14(13(3)4)18(15)22-19(16,5)6/h9-11,13,16-17H,7-8,12,20H2,1-6H3
InChIKeyXJOMMBULLAOTHW-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.94
Rot. Bonds5

About 3-(diethylaminomethyl)-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine

3-(diethylaminomethyl)-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine (PubChem CID 82188307) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name3-(diethylaminomethyl)-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine
PubChem CID82188307
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name3-(diethylaminomethyl)-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine
SMILESCCN(CC)CC1C(N)c2cccc(C(C)C)c2OC1(C)C
InChIInChI=1S/C19H32N2O/c1-7-21(8-2)12-16-17(20)15-11-9-10-14(13(3)4)18(15)22-19(16,5)6/h9-11,13,16-17H,7-8,12,20H2,1-6H3
InChIKeyXJOMMBULLAOTHW-UHFFFAOYSA-N
XLogP3.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylaminomethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-amine
CID 82188326
3-[2-hydroxyethyl(methyl)amino]-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-ol
CID 82187228
2-[(4-hydroxy-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-3-yl)-methylamino]acetic acid
CID 82187227
4-[(E)-4-bromo-3-methylbut-2-enyl]-2,2-dimethyl-8-propan-2-yl-4H-1,3-benzodioxine
CID 10570043
8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188074
N',N'-diethyl-N-(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
CID 82461412
4-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 75366060
1-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]ethanone
CID 10537715
2,2,7,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine
CID 82188328
(4S)-2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline
CID 99963884
(1R,2S)-2-amino-1-(2,2-difluoro-1,3-benzodioxol-4-yl)propan-1-ol
CID 96804211
N-[1-(2-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700991

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine?
The IUPAC name of 3-(diethylaminomethyl)-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine (CID 82188307) is 3-(diethylaminomethyl)-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 3-(diethylaminomethyl)-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 3-(diethylaminomethyl)-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine is CCN(CC)CC1C(N)c2cccc(C(C)C)c2OC1(C)C.
What is the InChIKey of 3-(diethylaminomethyl)-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine?
The InChIKey is XJOMMBULLAOTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-7-21(8-2)12-16-17(20)15-11-9-10-14(13(3)4)18(15)22-19(16,5)6/h9-11,13,16-17H,7-8,12,20H2,1-6H3.
What are the key properties of 3-(diethylaminomethyl)-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine?
3-(diethylaminomethyl)-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine has a molecular weight of 304.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82188307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).