3-methoxy-4-[5-(4-methoxyphenyl)pentoxy]aniline

C19H25NO3 — CID 27235

IUPAC3-methoxy-4-[5-(4-methoxyphenyl)pentoxy]aniline
SMILESCOc1ccc(CCCCCOc2ccc(N)cc2OC)cc1
InChIInChI=1S/C19H25NO3/c1-21-17-10-7-15(8-11-17)6-4-3-5-13-23-18-12-9-16(20)14-19(18)22-2/h7-12,14H,3-6,13,20H2,1-2H3
InChIKeyRNWVNCQSLBSCPF-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.08
Rot. Bonds9

About 3-methoxy-4-[5-(4-methoxyphenyl)pentoxy]aniline

3-methoxy-4-[5-(4-methoxyphenyl)pentoxy]aniline (PubChem CID 27235) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 3-methoxy-4-[5-(4-methoxyphenyl)pentoxy]aniline.

Molecular Properties

Compound Name3-methoxy-4-[5-(4-methoxyphenyl)pentoxy]aniline
PubChem CID27235
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name3-methoxy-4-[5-(4-methoxyphenyl)pentoxy]aniline
SMILESCOc1ccc(CCCCCOc2ccc(N)cc2OC)cc1
InChIInChI=1S/C19H25NO3/c1-21-17-10-7-15(8-11-17)6-4-3-5-13-23-18-12-9-16(20)14-19(18)22-2/h7-12,14H,3-6,13,20H2,1-2H3
InChIKeyRNWVNCQSLBSCPF-UHFFFAOYSA-N
XLogP4.08
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-Benzyloxyaniline
CID 22860
1,4-Benzodioxan-6-ylamine
CID 89148
3-Benzyloxyaniline
CID 92892
4-(2-Phenylethoxy)aniline
CID 3026856
4-(p-Tolyloxy)aniline
CID 94519
2-(4-Aminophenoxy)-5-hexylphenol
CID 44450091
4-(3,4-Dimethoxyphenethyl)aniline
CID 14256024
4-(4-Tert-butylphenoxy)aniline
CID 82498
4-[4-(2-Methylbutan-2-yl)phenoxy]aniline
CID 2312594
p-Phenetidine, 3-methoxy-
CID 209360
Aniline, p-(3-phenylpropoxy)-
CID 42154
4,5-Dimethoxy-2-methylaniline
CID 266585

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[5-(4-methoxyphenyl)pentoxy]aniline?
The IUPAC name of 3-methoxy-4-[5-(4-methoxyphenyl)pentoxy]aniline (CID 27235) is 3-methoxy-4-[5-(4-methoxyphenyl)pentoxy]aniline.
What is the SMILES notation for 3-methoxy-4-[5-(4-methoxyphenyl)pentoxy]aniline?
The canonical SMILES for 3-methoxy-4-[5-(4-methoxyphenyl)pentoxy]aniline is COc1ccc(CCCCCOc2ccc(N)cc2OC)cc1.
What is the InChIKey of 3-methoxy-4-[5-(4-methoxyphenyl)pentoxy]aniline?
The InChIKey is RNWVNCQSLBSCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-21-17-10-7-15(8-11-17)6-4-3-5-13-23-18-12-9-16(20)14-19(18)22-2/h7-12,14H,3-6,13,20H2,1-2H3.
What are the key properties of 3-methoxy-4-[5-(4-methoxyphenyl)pentoxy]aniline?
3-methoxy-4-[5-(4-methoxyphenyl)pentoxy]aniline has a molecular weight of 315.41 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[5-(4-methoxyphenyl)pentoxy]aniline is sourced from PubChem (CID 27235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).