N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline

C24H27NO2 — CID 54801882

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline
SMILESCOc1ccc(CCNc2cccc(OCCCc3ccccc3)c2)cc1
InChIInChI=1S/C24H27NO2/c1-26-23-14-12-21(13-15-23)16-17-25-22-10-5-11-24(19-22)27-18-6-9-20-7-3-2-4-8-20/h2-5,7-8,10-15,19,25H,6,9,16-18H2,1H3
InChIKeyXWPOVRGLDNSTKX-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.36
Rot. Bonds10

About N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline

N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline (PubChem CID 54801882) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline
PubChem CID54801882
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline
SMILESCOc1ccc(CCNc2cccc(OCCCc3ccccc3)c2)cc1
InChIInChI=1S/C24H27NO2/c1-26-23-14-12-21(13-15-23)16-17-25-22-10-5-11-24(19-22)27-18-6-9-20-7-3-2-4-8-20/h2-5,7-8,10-15,19,25H,6,9,16-18H2,1H3
InChIKeyXWPOVRGLDNSTKX-UHFFFAOYSA-N
XLogP5.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.36
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

3-ethoxy-N-(2-phenylethyl)aniline
CID 13391245
3-(3-methylbutoxy)-N-(2-phenylethyl)aniline
CID 54800482
N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(3-phenylpropoxy)aniline
CID 54801896
3-hexoxy-N-(3-phenylpropyl)aniline
CID 54800266
3-butoxy-N-[2-(4-chlorophenyl)ethyl]aniline
CID 54800672
N-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yloxyaniline
CID 54802782
N-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline
CID 54801861
N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 54806868
3-(chloromethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446140
N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
CID 54763230
3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797531
N'-(3-hexoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 54807388

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline (CID 54801882) is N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline is COc1ccc(CCNc2cccc(OCCCc3ccccc3)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline?
The InChIKey is XWPOVRGLDNSTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-26-23-14-12-21(13-15-23)16-17-25-22-10-5-11-24(19-22)27-18-6-9-20-7-3-2-4-8-20/h2-5,7-8,10-15,19,25H,6,9,16-18H2,1H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline?
N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline has a molecular weight of 361.49 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline is sourced from PubChem (CID 54801882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).