2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine

C17H19NO2 — CID 114708832

IUPAC2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(Cc1ccccc1)CC2N
InChIInChI=1S/C17H19NO2/c1-19-13-7-8-15-16(18)10-14(20-17(15)11-13)9-12-5-3-2-4-6-12/h2-8,11,14,16H,9-10,18H2,1H3
InChIKeyCLPPGMRRGLQXPN-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.09
Rot. Bonds3

About 2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine

2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114708832) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID114708832
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(Cc1ccccc1)CC2N
InChIInChI=1S/C17H19NO2/c1-19-13-7-8-15-16(18)10-14(20-17(15)11-13)9-12-5-3-2-4-6-12/h2-8,11,14,16H,9-10,18H2,1H3
InChIKeyCLPPGMRRGLQXPN-UHFFFAOYSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944789
(4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944916
(4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944582
(4R)-7-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104944786
(4R)-7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944809
2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114708632
(4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 104945286
(4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944590
2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709859
(2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride
CID 140767062
(4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946892

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 114708832) is 2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)OC(Cc1ccccc1)CC2N.
What is the InChIKey of 2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is CLPPGMRRGLQXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-19-13-7-8-15-16(18)10-14(20-17(15)11-13)9-12-5-3-2-4-6-12/h2-8,11,14,16H,9-10,18H2,1H3.
What are the key properties of 2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 269.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114708832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).