ethane;1-(3-methoxyphenyl)-N-methylmethanamine

C11H19NO — CID 142908093

IUPACethane;1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCC.CNCc1cccc(OC)c1
InChIInChI=1S/C9H13NO.C2H6/c1-10-7-8-4-3-5-9(6-8)11-2;1-2/h3-6,10H,7H2,1-2H3;1-2H3
InChIKeyJGOOVGAQEFQOFW-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.44
Rot. Bonds3

About ethane;1-(3-methoxyphenyl)-N-methylmethanamine

ethane;1-(3-methoxyphenyl)-N-methylmethanamine (PubChem CID 142908093) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;1-(3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Nameethane;1-(3-methoxyphenyl)-N-methylmethanamine
PubChem CID142908093
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCC.CNCc1cccc(OC)c1
InChIInChI=1S/C9H13NO.C2H6/c1-10-7-8-4-3-5-9(6-8)11-2;1-2/h3-6,10H,7H2,1-2H3;1-2H3
InChIKeyJGOOVGAQEFQOFW-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;1-(3-methoxyphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine
CID 62288969
N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine
CID 115260862
1-[3-bromo-4-[(3-methoxyphenyl)methoxymethyl]phenyl]-N-methylmethanamine
CID 102772273
1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine
CID 142399643
3-bromo-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 114293504
1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 83234561
3-ethyl-N-[(3-methoxyphenyl)methyl]pentan-3-amine
CID 65039406
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
1-[4-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61268156
N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408
1-[3-(3-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106486509

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of ethane;1-(3-methoxyphenyl)-N-methylmethanamine (CID 142908093) is ethane;1-(3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for ethane;1-(3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for ethane;1-(3-methoxyphenyl)-N-methylmethanamine is CC.CNCc1cccc(OC)c1.
What is the InChIKey of ethane;1-(3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is JGOOVGAQEFQOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-10-7-8-4-3-5-9(6-8)11-2;1-2/h3-6,10H,7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(3-methoxyphenyl)-N-methylmethanamine?
ethane;1-(3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 181.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 142908093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).