ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine

C22H35NO2 — CID 142828358

IUPACethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine
SMILESCC.CCc1ccc(OC)cc1.CNCCc1ccc(C)c(OC)c1
InChIInChI=1S/C11H17NO.C9H12O.C2H6/c1-9-4-5-10(6-7-12-2)8-11(9)13-3;1-3-8-4-6-9(10-2)7-5-8;1-2/h4-5,8,12H,6-7H2,1-3H3;4-7H,3H2,1-2H3;1-2H3
InChIKeyOUKKJGRYWNXXAT-UHFFFAOYSA-N
MW345.53 g/mol
LogP5.05
Rot. Bonds6

About ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine

ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine (PubChem CID 142828358) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Nameethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine
PubChem CID142828358
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC Nameethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine
SMILESCC.CCc1ccc(OC)cc1.CNCCc1ccc(C)c(OC)c1
InChIInChI=1S/C11H17NO.C9H12O.C2H6/c1-9-4-5-10(6-7-12-2)8-11(9)13-3;1-3-8-4-6-9(10-2)7-5-8;1-2/h4-5,8,12H,6-7H2,1-3H3;4-7H,3H2,1-2H3;1-2H3
InChIKeyOUKKJGRYWNXXAT-UHFFFAOYSA-N
XLogP5.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxy-4-methylphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 111589362
2-(3,4-dimethoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]ethanamine
CID 17410141
4-(3-bromopropyl)-2-methoxy-1-methylbenzene
CID 18626504
2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine
CID 144546494
2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine
CID 117302149
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine
CID 144547592
2-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]ethanamine;hydrochloride
CID 17290561
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 19926627
2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 64867479
2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43220553
N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 115967848

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine?
The IUPAC name of ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine (CID 142828358) is ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine is CC.CCc1ccc(OC)cc1.CNCCc1ccc(C)c(OC)c1.
What is the InChIKey of ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine?
The InChIKey is OUKKJGRYWNXXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C9H12O.C2H6/c1-9-4-5-10(6-7-12-2)8-11(9)13-3;1-3-8-4-6-9(10-2)7-5-8;1-2/h4-5,8,12H,6-7H2,1-3H3;4-7H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine?
ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine has a molecular weight of 345.53 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 142828358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).