1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine

C15H23NO — CID 55131203

IUPAC1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1ccc(C)c(C)c1)C1CCOCC1
InChIInChI=1S/C15H23NO/c1-11-4-5-14(10-12(11)2)15(16-3)13-6-8-17-9-7-13/h4-5,10,13,15-16H,6-9H2,1-3H3
InChIKeyHLTNFFFVWHDTLJ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.99
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine

1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 55131203) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID55131203
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1ccc(C)c(C)c1)C1CCOCC1
InChIInChI=1S/C15H23NO/c1-11-4-5-14(10-12(11)2)15(16-3)13-6-8-17-9-7-13/h4-5,10,13,15-16H,6-9H2,1-3H3
InChIKeyHLTNFFFVWHDTLJ-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine 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-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61271037
(S)-(3,4-dimethylphenyl)-(oxan-4-yl)methanamine
CID 94891825
1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907400
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131204
1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140321
1-(3-iodophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115855997
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935282
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 115855875
N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine
CID 55131785
1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480190
1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 104994251
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 79703603

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine (CID 55131203) is 1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(c1ccc(C)c(C)c1)C1CCOCC1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is HLTNFFFVWHDTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-4-5-14(10-12(11)2)15(16-3)13-6-8-17-9-7-13/h4-5,10,13,15-16H,6-9H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 233.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 55131203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).