3-methoxy-4-(7-phenylheptoxy)aniline

C20H27NO2 — CID 27232

IUPAC3-methoxy-4-(7-phenylheptoxy)aniline
SMILESCOc1cc(N)ccc1OCCCCCCCc1ccccc1
InChIInChI=1S/C20H27NO2/c1-22-20-16-18(21)13-14-19(20)23-15-9-4-2-3-6-10-17-11-7-5-8-12-17/h5,7-8,11-14,16H,2-4,6,9-10,15,21H2,1H3
InChIKeyUEGAQGKWTVLZBL-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.85
Rot. Bonds10

About 3-methoxy-4-(7-phenylheptoxy)aniline

3-methoxy-4-(7-phenylheptoxy)aniline (PubChem CID 27232) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-methoxy-4-(7-phenylheptoxy)aniline.

Molecular Properties

Compound Name3-methoxy-4-(7-phenylheptoxy)aniline
PubChem CID27232
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name3-methoxy-4-(7-phenylheptoxy)aniline
SMILESCOc1cc(N)ccc1OCCCCCCCc1ccccc1
InChIInChI=1S/C20H27NO2/c1-22-20-16-18(21)13-14-19(20)23-15-9-4-2-3-6-10-17-11-7-5-8-12-17/h5,7-8,11-14,16H,2-4,6,9-10,15,21H2,1H3
InChIKeyUEGAQGKWTVLZBL-UHFFFAOYSA-N
XLogP4.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.85
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

3,4-Dimethoxyaniline
CID 22770
4-Benzyloxyaniline
CID 22860
1,4-Benzodioxan-6-ylamine
CID 89148
3-Benzyloxyaniline
CID 92892
4-(2-Phenylethoxy)aniline
CID 3026856
2-(4-Aminophenoxy)-5-hexylphenol
CID 44450091
4-(3,4-Dimethoxyphenethyl)aniline
CID 14256024
p-Phenetidine, 3-methoxy-
CID 209360
Aniline, p-(3-phenylpropoxy)-
CID 42154
4,5-Dimethoxy-2-methylaniline
CID 266585
3,4-Diethoxyaniline
CID 520936
4'-Aminobenzo-15-crown 5-Ether
CID 2724797

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(7-phenylheptoxy)aniline?
The IUPAC name of 3-methoxy-4-(7-phenylheptoxy)aniline (CID 27232) is 3-methoxy-4-(7-phenylheptoxy)aniline.
What is the SMILES notation for 3-methoxy-4-(7-phenylheptoxy)aniline?
The canonical SMILES for 3-methoxy-4-(7-phenylheptoxy)aniline is COc1cc(N)ccc1OCCCCCCCc1ccccc1.
What is the InChIKey of 3-methoxy-4-(7-phenylheptoxy)aniline?
The InChIKey is UEGAQGKWTVLZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-22-20-16-18(21)13-14-19(20)23-15-9-4-2-3-6-10-17-11-7-5-8-12-17/h5,7-8,11-14,16H,2-4,6,9-10,15,21H2,1H3.
What are the key properties of 3-methoxy-4-(7-phenylheptoxy)aniline?
3-methoxy-4-(7-phenylheptoxy)aniline has a molecular weight of 313.44 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(7-phenylheptoxy)aniline is sourced from PubChem (CID 27232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).