acetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen

C12H20N2O — CID 176959319

IUPACacetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen
SMILESCC#N.CNCc1ccc(C)c(OC)c1.[H][H]
InChIInChI=1S/C10H15NO.C2H3N.H2/c1-8-4-5-9(7-11-2)6-10(8)12-3;1-2-3;/h4-6,11H,7H2,1-3H3;1H3;1H
InChIKeyVIRJLRCHQYALQF-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.50
Rot. Bonds3

About acetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen

acetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen (PubChem CID 176959319) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is acetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen.

Molecular Properties

Compound Nameacetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen
PubChem CID176959319
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Nameacetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen
SMILESCC#N.CNCc1ccc(C)c(OC)c1.[H][H]
InChIInChI=1S/C10H15NO.C2H3N.H2/c1-8-4-5-9(7-11-2)6-10(8)12-3;1-2-3;/h4-6,11H,7H2,1-3H3;1H3;1H
InChIKeyVIRJLRCHQYALQF-UHFFFAOYSA-N
XLogP2.50
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117276489
1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406718
1-[3-(5-chloro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407414
2-methoxy-N,N-dimethyl-4-(methylaminomethyl)aniline
CID 84754595
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
1-[3-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxyphenyl]-N-methylmethanamine
CID 102981053
2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835
1-[3-(4-chloro-3-methoxyphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105409070
1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine
CID 83698352
1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene
CID 139567756
N-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine
CID 105407260
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505

Frequently Asked Questions

What is the IUPAC name of acetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen?
The IUPAC name of acetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen (CID 176959319) is acetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen.
What is the SMILES notation for acetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen?
The canonical SMILES for acetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen is CC#N.CNCc1ccc(C)c(OC)c1.[H][H].
What is the InChIKey of acetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen?
The InChIKey is VIRJLRCHQYALQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C2H3N.H2/c1-8-4-5-9(7-11-2)6-10(8)12-3;1-2-3;/h4-6,11H,7H2,1-3H3;1H3;1H.
What are the key properties of acetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen?
acetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen has a molecular weight of 208.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen is sourced from PubChem (CID 176959319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).