1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine

C19H33NO — CID 106791994

IUPAC1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)c1ccc(C)cc1OC
InChIInChI=1S/C19H33NO/c1-5-6-7-8-9-10-11-12-18(20-3)17-14-13-16(2)15-19(17)21-4/h13-15,18,20H,5-12H2,1-4H3
InChIKeyNKSFFWIRBBPCDL-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.40
Rot. Bonds11

About 1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine

1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine (PubChem CID 106791994) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine
PubChem CID106791994
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)c1ccc(C)cc1OC
InChIInChI=1S/C19H33NO/c1-5-6-7-8-9-10-11-12-18(20-3)17-14-13-16(2)15-19(17)21-4/h13-15,18,20H,5-12H2,1-4H3
InChIKeyNKSFFWIRBBPCDL-UHFFFAOYSA-N
XLogP5.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.40
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-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
1-(2,4-dimethylphenyl)-N-methylundecan-1-amine
CID 115845807
1-(2-methoxy-4-methylphenyl)undecan-1-amine
CID 106791391
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
1-(2-bromo-4-methylphenyl)-N-methylundecan-1-amine
CID 115845869
1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine
CID 43626724
1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine
CID 106791784
3-cyclopropyl-1-(2-methoxy-4-methylphenyl)-N-methylpropan-1-amine
CID 106791881
N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine
CID 43589032
1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
CID 43481978
1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine
CID 65448568
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine
CID 65433149

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine (CID 106791994) is 1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine is CCCCCCCCCC(NC)c1ccc(C)cc1OC.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine?
The InChIKey is NKSFFWIRBBPCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-6-7-8-9-10-11-12-18(20-3)17-14-13-16(2)15-19(17)21-4/h13-15,18,20H,5-12H2,1-4H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine?
1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.40, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine is sourced from PubChem (CID 106791994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).