1-(3,4-dimethylphenyl)-N-methyl-2-octan-2-yloxyethanamine

C19H33NO — CID 63474755

IUPAC1-(3,4-dimethylphenyl)-N-methyl-2-octan-2-yloxyethanamine
SMILESCCCCCCC(C)OCC(NC)c1ccc(C)c(C)c1
InChIInChI=1S/C19H33NO/c1-6-7-8-9-10-17(4)21-14-19(20-5)18-12-11-15(2)16(3)13-18/h11-13,17,19-20H,6-10,14H2,1-5H3
InChIKeyRISJCWANPHZBAE-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.94
Rot. Bonds10

About 1-(3,4-dimethylphenyl)-N-methyl-2-octan-2-yloxyethanamine

1-(3,4-dimethylphenyl)-N-methyl-2-octan-2-yloxyethanamine (PubChem CID 63474755) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-methyl-2-octan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-methyl-2-octan-2-yloxyethanamine
PubChem CID63474755
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(3,4-dimethylphenyl)-N-methyl-2-octan-2-yloxyethanamine
SMILESCCCCCCC(C)OCC(NC)c1ccc(C)c(C)c1
InChIInChI=1S/C19H33NO/c1-6-7-8-9-10-17(4)21-14-19(20-5)18-12-11-15(2)16(3)13-18/h11-13,17,19-20H,6-10,14H2,1-5H3
InChIKeyRISJCWANPHZBAE-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
CID 115833459
1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
CID 63413701
1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487418
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897
4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene
CID 23336050
1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 63468338
1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine
CID 115837445
1-(4-chloro-3-methylphenyl)-N-methylpentan-1-amine
CID 115832927
1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine
CID 115833804
1-(4-chloro-3-methylphenyl)-N-ethyloctan-1-amine
CID 115832279
N-[1-(3,4-dimethylphenyl)ethyl]octan-1-amine
CID 115566559
2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 63476117

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-2-octan-2-yloxyethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-2-octan-2-yloxyethanamine (CID 63474755) is 1-(3,4-dimethylphenyl)-N-methyl-2-octan-2-yloxyethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-methyl-2-octan-2-yloxyethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-methyl-2-octan-2-yloxyethanamine is CCCCCCC(C)OCC(NC)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-methyl-2-octan-2-yloxyethanamine?
The InChIKey is RISJCWANPHZBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-7-8-9-10-17(4)21-14-19(20-5)18-12-11-15(2)16(3)13-18/h11-13,17,19-20H,6-10,14H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-methyl-2-octan-2-yloxyethanamine?
1-(3,4-dimethylphenyl)-N-methyl-2-octan-2-yloxyethanamine has a molecular weight of 291.48 g/mol, XLogP of 4.94, 10 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-2-octan-2-yloxyethanamine is sourced from PubChem (CID 63474755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).