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

C17H20N2O — CID 82461396

IUPAC8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1cccc2c1OCCC2NCc1ccncc1
InChIInChI=1S/C17H20N2O/c1-2-14-4-3-5-15-16(8-11-20-17(14)15)19-12-13-6-9-18-10-7-13/h3-7,9-10,16,19H,2,8,11-12H2,1H3
InChIKeyCZUMZCASMASICL-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.26
Rot. Bonds4

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

8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461396) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461396
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1cccc2c1OCCC2NCc1ccncc1
InChIInChI=1S/C17H20N2O/c1-2-14-4-3-5-15-16(8-11-20-17(14)15)19-12-13-6-9-18-10-7-13/h3-7,9-10,16,19H,2,8,11-12H2,1H3
InChIKeyCZUMZCASMASICL-UHFFFAOYSA-N
XLogP3.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461727
8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461418
8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512680
8-ethyl-N-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461392
N',N'-diethyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 82461385
N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461734
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
N-[3-[2-[(8-ethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421625
8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43511874
4-[[3-[[4-[(2R)-butan-2-yl]phenyl]methyl]imidazol-4-yl]methylamino]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-8-carboxamide
CID 142042336
N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3755839

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 82461396) is 8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is CCc1cccc2c1OCCC2NCc1ccncc1.
What is the InChIKey of 8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is CZUMZCASMASICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-14-4-3-5-15-16(8-11-20-17(14)15)19-12-13-6-9-18-10-7-13/h3-7,9-10,16,19H,2,8,11-12H2,1H3.
What are the key properties of 8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 268.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).