8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C18H22N2O — CID 82461418

IUPAC8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1cccc2c1OCCC2NCc1ccncc1
InChIInChI=1S/C18H22N2O/c1-13(2)15-4-3-5-16-17(8-11-21-18(15)16)20-12-14-6-9-19-10-7-14/h3-7,9-10,13,17,20H,8,11-12H2,1-2H3
InChIKeyYVGJEKAOFNHSJF-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.82
Rot. Bonds4

About 8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461418) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461418
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1cccc2c1OCCC2NCc1ccncc1
InChIInChI=1S/C18H22N2O/c1-13(2)15-4-3-5-16-17(8-11-21-18(15)16)20-12-14-6-9-19-10-7-14/h3-7,9-10,13,17,20H,8,11-12H2,1-2H3
InChIKeyYVGJEKAOFNHSJF-UHFFFAOYSA-N
XLogP3.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461396
8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461727
4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol
CID 109395509
N-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 82461406
N-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 43512490
N',N'-diethyl-N-(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
CID 82461412
8-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 43512509
2-methyl-3-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 109395528
N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461734
N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221295
8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461632
4-methyl-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418185

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 82461418) is 8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is CC(C)c1cccc2c1OCCC2NCc1ccncc1.
What is the InChIKey of 8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YVGJEKAOFNHSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(2)15-4-3-5-16-17(8-11-21-18(15)16)20-12-14-6-9-19-10-7-14/h3-7,9-10,13,17,20H,8,11-12H2,1-2H3.
What are the key properties of 8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).