N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine

C17H19NO2 — CID 82461734

IUPACN-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cccc2c1OCCC2NCc1ccccc1
InChIInChI=1S/C17H19NO2/c1-19-16-9-5-8-14-15(10-11-20-17(14)16)18-12-13-6-3-2-4-7-13/h2-9,15,18H,10-12H2,1H3
InChIKeyZKWJVNNJCKRETC-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.31
Rot. Bonds4

About N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine

N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461734) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461734
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cccc2c1OCCC2NCc1ccccc1
InChIInChI=1S/C17H19NO2/c1-19-16-9-5-8-14-15(10-11-20-17(14)16)18-12-13-6-3-2-4-7-13/h2-9,15,18H,10-12H2,1H3
InChIKeyZKWJVNNJCKRETC-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.31
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-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
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 56827821
8-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 47627967
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
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
8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461396
N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632771
8-propan-2-yl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461418
4-[5-[[(8-chloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methoxyphenoxy]butanenitrile
CID 49249118

Frequently Asked Questions

What is the IUPAC name of N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 82461734) is N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1cccc2c1OCCC2NCc1ccccc1.
What is the InChIKey of N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZKWJVNNJCKRETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-19-16-9-5-8-14-15(10-11-20-17(14)16)18-12-13-6-3-2-4-7-13/h2-9,15,18H,10-12H2,1H3.
What are the key properties of N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine?
N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 269.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).