1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine

C17H29NO2 — CID 43481978

IUPAC1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1cc(OC)ccc1OC
InChIInChI=1S/C17H29NO2/c1-5-6-7-8-9-10-16(18-2)15-13-14(19-3)11-12-17(15)20-4/h11-13,16,18H,5-10H2,1-4H3
InChIKeyGBDBZDJUVNPRQG-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.32
Rot. Bonds10

About 1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine

1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine (PubChem CID 43481978) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
PubChem CID43481978
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1cc(OC)ccc1OC
InChIInChI=1S/C17H29NO2/c1-5-6-7-8-9-10-16(18-2)15-13-14(19-3)11-12-17(15)20-4/h11-13,16,18H,5-10H2,1-4H3
InChIKeyGBDBZDJUVNPRQG-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.32
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-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028971
1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine
CID 65448568
1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine
CID 105124484
1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine
CID 114752463
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine
CID 43589032
1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine
CID 106791994
1-(2,5-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine
CID 102981353
1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine
CID 43626724
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine (CID 43481978) is 1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine is CCCCCCCC(NC)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine?
The InChIKey is GBDBZDJUVNPRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-6-7-8-9-10-16(18-2)15-13-14(19-3)11-12-17(15)20-4/h11-13,16,18H,5-10H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine?
1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine is sourced from PubChem (CID 43481978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).