ethane;1-(4-methoxyphenyl)-N-methylethanamine

C12H21NO — CID 143114257

IUPACethane;1-(4-methoxyphenyl)-N-methylethanamine
SMILESCC.CNC(C)c1ccc(OC)cc1
InChIInChI=1S/C10H15NO.C2H6/c1-8(11-2)9-4-6-10(12-3)7-5-9;1-2/h4-8,11H,1-3H3;1-2H3
InChIKeyLHJHLYSUAYKFNX-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.00
Rot. Bonds3

About ethane;1-(4-methoxyphenyl)-N-methylethanamine

ethane;1-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 143114257) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;1-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Nameethane;1-(4-methoxyphenyl)-N-methylethanamine
PubChem CID143114257
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Nameethane;1-(4-methoxyphenyl)-N-methylethanamine
SMILESCC.CNC(C)c1ccc(OC)cc1
InChIInChI=1S/C10H15NO.C2H6/c1-8(11-2)9-4-6-10(12-3)7-5-9;1-2/h4-8,11H,1-3H3;1-2H3
InChIKeyLHJHLYSUAYKFNX-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
N-methoxy-1-(4-methoxyphenyl)ethanamine
CID 82706779
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
4-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507626
(1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine
CID 163358815
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 58628220
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030
(1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 163535290
N-[1-(4-methoxyphenyl)ethyl]formamide
CID 3115584
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide
CID 131162335
1-methoxy-1-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 91693922

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of ethane;1-(4-methoxyphenyl)-N-methylethanamine (CID 143114257) is ethane;1-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for ethane;1-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for ethane;1-(4-methoxyphenyl)-N-methylethanamine is CC.CNC(C)c1ccc(OC)cc1.
What is the InChIKey of ethane;1-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is LHJHLYSUAYKFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C2H6/c1-8(11-2)9-4-6-10(12-3)7-5-9;1-2/h4-8,11H,1-3H3;1-2H3.
What are the key properties of ethane;1-(4-methoxyphenyl)-N-methylethanamine?
ethane;1-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 195.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 143114257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).