1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-(2-phenylethyl)ethanamine

C22H27NO2 — CID 73333330

IUPAC1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-(2-phenylethyl)ethanamine
SMILESCOc1cc2c(cc1C(C)NCCc1ccccc1)C=CC(C)(C)O2
InChIInChI=1S/C22H27NO2/c1-16(23-13-11-17-8-6-5-7-9-17)19-14-18-10-12-22(2,3)25-20(18)15-21(19)24-4/h5-10,12,14-16,23H,11,13H2,1-4H3
InChIKeyQFZDZMGQABEGRH-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.77
Rot. Bonds6

About 1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-(2-phenylethyl)ethanamine

1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-(2-phenylethyl)ethanamine (PubChem CID 73333330) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-(2-phenylethyl)ethanamine.

Molecular Properties

Compound Name1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-(2-phenylethyl)ethanamine
PubChem CID73333330
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-(2-phenylethyl)ethanamine
SMILESCOc1cc2c(cc1C(C)NCCc1ccccc1)C=CC(C)(C)O2
InChIInChI=1S/C22H27NO2/c1-16(23-13-11-17-8-6-5-7-9-17)19-14-18-10-12-22(2,3)25-20(18)15-21(19)24-4/h5-10,12,14-16,23H,11,13H2,1-4H3
InChIKeyQFZDZMGQABEGRH-UHFFFAOYSA-N
XLogP4.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 88696
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CID 117941658
2-(2,4-Dimethoxyphenyl)pyrrolidine
CID 5236071
(3,5-Dimethoxybenzyl)[3-(4-methoxyphenyl)-1-methylpropyl]amine
CID 2846577
(2S,3S)-N-[[2-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 44578023
(2S,3S)-N-[[2-methoxy-5-(1,1,1-trifluoro-2-methoxypropan-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 44578056
N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-N-methyl-3-phenylpropan-1-amine
CID 73346358
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4882752
(1R,3S)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 137652051
(2,4-Dimethoxybenzyl)(2-methylcyclohexyl)amine
CID 2852810
6,8-Dimethoxy-1-(2'-methoxybiphenyl-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
CID 50991363
2-[[2,6-Dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 117941533

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-(2-phenylethyl)ethanamine?
The IUPAC name of 1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-(2-phenylethyl)ethanamine (CID 73333330) is 1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-(2-phenylethyl)ethanamine.
What is the SMILES notation for 1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-(2-phenylethyl)ethanamine?
The canonical SMILES for 1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-(2-phenylethyl)ethanamine is COc1cc2c(cc1C(C)NCCc1ccccc1)C=CC(C)(C)O2.
What is the InChIKey of 1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-(2-phenylethyl)ethanamine?
The InChIKey is QFZDZMGQABEGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-16(23-13-11-17-8-6-5-7-9-17)19-14-18-10-12-22(2,3)25-20(18)15-21(19)24-4/h5-10,12,14-16,23H,11,13H2,1-4H3.
What are the key properties of 1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-(2-phenylethyl)ethanamine?
1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-(2-phenylethyl)ethanamine has a molecular weight of 337.46 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-2,2-dimethylchromen-6-yl)-N-(2-phenylethyl)ethanamine is sourced from PubChem (CID 73333330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).