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

C21H25NO2 — CID 73333329

IUPACN-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine
SMILESCOc1cc2c(cc1C(C)NCc1ccccc1)C=CC(C)(C)O2
InChIInChI=1S/C21H25NO2/c1-15(22-14-16-8-6-5-7-9-16)18-12-17-10-11-21(2,3)24-19(17)13-20(18)23-4/h5-13,15,22H,14H2,1-4H3
InChIKeyYYHBOUVNIMWRMK-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.73
Rot. Bonds5

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

N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine (PubChem CID 73333329) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine
PubChem CID73333329
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine
SMILESCOc1cc2c(cc1C(C)NCc1ccccc1)C=CC(C)(C)O2
InChIInChI=1S/C21H25NO2/c1-15(22-14-16-8-6-5-7-9-16)18-12-17-10-11-21(2,3)24-19(17)13-20(18)23-4/h5-13,15,22H,14H2,1-4H3
InChIKeyYYHBOUVNIMWRMK-UHFFFAOYSA-N
XLogP4.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bis(2,4-dimethoxybenzyl)amine
CID 88696
N-(2-((2,6-Dimethoxy-4-((2-methyl-[1,1'-biphenyl]-3-yl)methoxy)benzyl)amino)ethyl)acetamide
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 N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine?
The IUPAC name of N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine (CID 73333329) is N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine.
What is the SMILES notation for N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine?
The canonical SMILES for N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine is COc1cc2c(cc1C(C)NCc1ccccc1)C=CC(C)(C)O2.
What is the InChIKey of N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine?
The InChIKey is YYHBOUVNIMWRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-15(22-14-16-8-6-5-7-9-16)18-12-17-10-11-21(2,3)24-19(17)13-20(18)23-4/h5-13,15,22H,14H2,1-4H3.
What are the key properties of N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine?
N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine has a molecular weight of 323.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanamine is sourced from PubChem (CID 73333329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).