3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine

C15H22N2O — CID 79189276

IUPAC3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC1CN(C2COc3ccccc3C2N)CC1C
InChIInChI=1S/C15H22N2O/c1-10-7-17(8-11(10)2)13-9-18-14-6-4-3-5-12(14)15(13)16/h3-6,10-11,13,15H,7-9,16H2,1-2H3
InChIKeyWKXZRJZYCQGXON-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.04
Rot. Bonds1

About 3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine

3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 79189276) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID79189276
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC1CN(C2COc3ccccc3C2N)CC1C
InChIInChI=1S/C15H22N2O/c1-10-7-17(8-11(10)2)13-9-18-14-6-4-3-5-12(14)15(13)16/h3-6,10-11,13,15H,7-9,16H2,1-2H3
InChIKeyWKXZRJZYCQGXON-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103532291
3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63160368
3-(4-methylsulfonylpiperazin-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 62993781
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43620329
2-(3,4-dimethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419084
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine
CID 102725956
(3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 174973153
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
5-methyl-2,3,4,5-tetrahydro-1-benzoxepin-3-amine
CID 142226246
3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43184438
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine (CID 79189276) is 3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine is CC1CN(C2COc3ccccc3C2N)CC1C.
What is the InChIKey of 3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WKXZRJZYCQGXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-7-17(8-11(10)2)13-9-18-14-6-4-3-5-12(14)15(13)16/h3-6,10-11,13,15H,7-9,16H2,1-2H3.
What are the key properties of 3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine?
3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 246.35 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 79189276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).