1-(2-decoxy-3-methylphenyl)-N-methylmethanamine

C19H33NO — CID 115952261

IUPAC1-(2-decoxy-3-methylphenyl)-N-methylmethanamine
SMILESCCCCCCCCCCOc1c(C)cccc1CNC
InChIInChI=1S/C19H33NO/c1-4-5-6-7-8-9-10-11-15-21-19-17(2)13-12-14-18(19)16-20-3/h12-14,20H,4-11,15-16H2,1-3H3
InChIKeyHREWPHAGZSLOIG-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.23
Rot. Bonds12

About 1-(2-decoxy-3-methylphenyl)-N-methylmethanamine

1-(2-decoxy-3-methylphenyl)-N-methylmethanamine (PubChem CID 115952261) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(2-decoxy-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-decoxy-3-methylphenyl)-N-methylmethanamine
PubChem CID115952261
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(2-decoxy-3-methylphenyl)-N-methylmethanamine
SMILESCCCCCCCCCCOc1c(C)cccc1CNC
InChIInChI=1S/C19H33NO/c1-4-5-6-7-8-9-10-11-15-21-19-17(2)13-12-14-18(19)16-20-3/h12-14,20H,4-11,15-16H2,1-3H3
InChIKeyHREWPHAGZSLOIG-UHFFFAOYSA-N
XLogP5.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.23
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

N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
N-[(2-heptoxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 115954178
N-[(2-heptoxy-3-methylphenyl)methyl]propan-2-amine
CID 115954021
1-[2-(4,4-dimethylpentoxy)-3-methylphenyl]-N-methylmethanamine
CID 114209330
2-decoxy-1,3-dimethylbenzene
CID 83057478
(2-decoxy-3-methylphenyl)methanol
CID 115956202
(2-decoxy-3-methylphenyl)methanamine
CID 115951875
1-(bromomethyl)-2-hexoxy-3-methylbenzene
CID 112614137
1-(bromomethyl)-3-methyl-2-octoxybenzene
CID 112614072
1-(5-bromo-3-methyl-2-octoxyphenyl)-N-methylmethanamine
CID 115960948
N,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide
CID 112608394
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438

Frequently Asked Questions

What is the IUPAC name of 1-(2-decoxy-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-decoxy-3-methylphenyl)-N-methylmethanamine (CID 115952261) is 1-(2-decoxy-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-decoxy-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-decoxy-3-methylphenyl)-N-methylmethanamine is CCCCCCCCCCOc1c(C)cccc1CNC.
What is the InChIKey of 1-(2-decoxy-3-methylphenyl)-N-methylmethanamine?
The InChIKey is HREWPHAGZSLOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-4-5-6-7-8-9-10-11-15-21-19-17(2)13-12-14-18(19)16-20-3/h12-14,20H,4-11,15-16H2,1-3H3.
What are the key properties of 1-(2-decoxy-3-methylphenyl)-N-methylmethanamine?
1-(2-decoxy-3-methylphenyl)-N-methylmethanamine has a molecular weight of 291.48 g/mol, XLogP of 5.23, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-decoxy-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115952261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).