3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine

C17H21N3O — CID 65410111

IUPAC3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine
SMILESCCNC(c1cccnc1N)C1COc2ccccc2C1
InChIInChI=1S/C17H21N3O/c1-2-19-16(14-7-5-9-20-17(14)18)13-10-12-6-3-4-8-15(12)21-11-13/h3-9,13,16,19H,2,10-11H2,1H3,(H2,18,20)
InChIKeyPUFPJISMQDEWCZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.57
Rot. Bonds4

About 3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine

3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine (PubChem CID 65410111) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine
PubChem CID65410111
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine
SMILESCCNC(c1cccnc1N)C1COc2ccccc2C1
InChIInChI=1S/C17H21N3O/c1-2-19-16(14-7-5-9-20-17(14)18)13-10-12-6-3-4-8-15(12)21-11-13/h3-9,13,16,19H,2,10-11H2,1H3,(H2,18,20)
InChIKeyPUFPJISMQDEWCZ-UHFFFAOYSA-N
XLogP2.57
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-4-amine
CID 65412264
N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
CID 106653327
N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
CID 114655781
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79180444
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-phenylethanamine
CID 65410502
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine
CID 65412063
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine
CID 65410110
3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine
CID 65411469
1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65411667
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine
CID 83161048
3-[1,4-diazabicyclo[2.2.2]octan-2-yl(ethylamino)methyl]pyridin-2-amine
CID 79974436
N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine
CID 107136471

Frequently Asked Questions

What is the IUPAC name of 3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine?
The IUPAC name of 3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine (CID 65410111) is 3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine?
The canonical SMILES for 3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine is CCNC(c1cccnc1N)C1COc2ccccc2C1.
What is the InChIKey of 3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine?
The InChIKey is PUFPJISMQDEWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-19-16(14-7-5-9-20-17(14)18)13-10-12-6-3-4-8-15(12)21-11-13/h3-9,13,16,19H,2,10-11H2,1H3,(H2,18,20).
What are the key properties of 3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine?
3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 65410111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).