1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine

C18H31NO2 — CID 43626724

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C18H31NO2/c1-6-7-8-9-10-11-16(19-3)15-13-18(21-5)17(20-4)12-14(15)2/h12-13,16,19H,6-11H2,1-5H3
InChIKeyOHWLQCPOPHQRPO-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.63
Rot. Bonds10

About 1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine

1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine (PubChem CID 43626724) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine
PubChem CID43626724
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C18H31NO2/c1-6-7-8-9-10-11-16(19-3)15-13-18(21-5)17(20-4)12-14(15)2/h12-13,16,19H,6-11H2,1-5H3
InChIKeyOHWLQCPOPHQRPO-UHFFFAOYSA-N
XLogP4.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine
CID 65433149
1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948581
1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine
CID 43626705
1-(1-bromooctyl)-4,5-dimethoxy-2-methylbenzene
CID 63443348
1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine
CID 106791994
1-(1-chlorooctyl)-4,5-dimethoxy-2-methylbenzene
CID 63435046
1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol
CID 61080760
1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
CID 43481978
1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
CID 115833459
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine
CID 65448568

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine (CID 43626724) is 1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine is CCCCCCCC(NC)c1cc(OC)c(OC)cc1C.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine?
The InChIKey is OHWLQCPOPHQRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-7-8-9-10-11-16(19-3)15-13-18(21-5)17(20-4)12-14(15)2/h12-13,16,19H,6-11H2,1-5H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine?
1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine is sourced from PubChem (CID 43626724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).