2,3-dimethoxy-5-(5-phenylpentyl)aniline

C19H25NO2 — CID 71371223

IUPAC2,3-dimethoxy-5-(5-phenylpentyl)aniline
SMILESCOc1cc(CCCCCc2ccccc2)cc(N)c1OC
InChIInChI=1S/C19H25NO2/c1-21-18-14-16(13-17(20)19(18)22-2)12-8-4-7-11-15-9-5-3-6-10-15/h3,5-6,9-10,13-14H,4,7-8,11-12,20H2,1-2H3
InChIKeyXXGORVFSGXCBMZ-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.24
Rot. Bonds8

About 2,3-dimethoxy-5-(5-phenylpentyl)aniline

2,3-dimethoxy-5-(5-phenylpentyl)aniline (PubChem CID 71371223) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2,3-dimethoxy-5-(5-phenylpentyl)aniline.

Molecular Properties

Compound Name2,3-dimethoxy-5-(5-phenylpentyl)aniline
PubChem CID71371223
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2,3-dimethoxy-5-(5-phenylpentyl)aniline
SMILESCOc1cc(CCCCCc2ccccc2)cc(N)c1OC
InChIInChI=1S/C19H25NO2/c1-21-18-14-16(13-17(20)19(18)22-2)12-8-4-7-11-15-9-5-3-6-10-15/h3,5-6,9-10,13-14H,4,7-8,11-12,20H2,1-2H3
InChIKeyXXGORVFSGXCBMZ-UHFFFAOYSA-N
XLogP4.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)pentan-1-ol
CID 22640074
5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline
CID 82183962
4,5-dimethoxy-2-(3-phenylpropoxy)aniline
CID 83005249
5-(10-bromodecyl)-1,2,3-trimethoxybenzene
CID 156501832
1-(3-phenylpropyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217114
N'-[2-(3,4-dimethoxy-5-methylphenyl)ethyl]-N-(2-phenylethyl)hexane-1,6-diamine;dihydrochloride
CID 19838089
2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 82070771
2,3-dimethoxy-5-[(4-phenylpiperazin-1-yl)methyl]aniline
CID 82183738
(2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
CID 101064795
1-(2-phenylethyl)-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine-1,4-diium;dihydrochloride
CID 126958369
1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene
CID 174438503
2-(3,4-dimethoxy-5-phenylphenyl)ethanamine
CID 82038802

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-(5-phenylpentyl)aniline?
The IUPAC name of 2,3-dimethoxy-5-(5-phenylpentyl)aniline (CID 71371223) is 2,3-dimethoxy-5-(5-phenylpentyl)aniline.
What is the SMILES notation for 2,3-dimethoxy-5-(5-phenylpentyl)aniline?
The canonical SMILES for 2,3-dimethoxy-5-(5-phenylpentyl)aniline is COc1cc(CCCCCc2ccccc2)cc(N)c1OC.
What is the InChIKey of 2,3-dimethoxy-5-(5-phenylpentyl)aniline?
The InChIKey is XXGORVFSGXCBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-21-18-14-16(13-17(20)19(18)22-2)12-8-4-7-11-15-9-5-3-6-10-15/h3,5-6,9-10,13-14H,4,7-8,11-12,20H2,1-2H3.
What are the key properties of 2,3-dimethoxy-5-(5-phenylpentyl)aniline?
2,3-dimethoxy-5-(5-phenylpentyl)aniline has a molecular weight of 299.41 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-(5-phenylpentyl)aniline is sourced from PubChem (CID 71371223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).