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

C16H18N2O2 — CID 82461727

IUPAC8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cccc2c1OCCC2NCc1ccncc1
InChIInChI=1S/C16H18N2O2/c1-19-15-4-2-3-13-14(7-10-20-16(13)15)18-11-12-5-8-17-9-6-12/h2-6,8-9,14,18H,7,10-11H2,1H3
InChIKeySKXSDCCNJJLGSL-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.70
Rot. Bonds4

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

8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461727) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461727
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cccc2c1OCCC2NCc1ccncc1
InChIInChI=1S/C16H18N2O2/c1-19-15-4-2-3-13-14(7-10-20-16(13)15)18-11-12-5-8-17-9-6-12/h2-6,8-9,14,18H,7,10-11H2,1H3
InChIKeySKXSDCCNJJLGSL-UHFFFAOYSA-N
XLogP2.70
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461734
8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461396
8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461418
8-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43511818
8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461632
8-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 47627967
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 56827821
8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461715
(4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 95183007
4-methyl-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418185
4-[5-[[(8-chloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methoxyphenoxy]butanenitrile
CID 49249118
N-[(4-fluorophenyl)methyl]-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43763270

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 82461727) is 8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is COc1cccc2c1OCCC2NCc1ccncc1.
What is the InChIKey of 8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is SKXSDCCNJJLGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-19-15-4-2-3-13-14(7-10-20-16(13)15)18-11-12-5-8-17-9-6-12/h2-6,8-9,14,18H,7,10-11H2,1H3.
What are the key properties of 8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 270.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).