N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline

C18H23NO — CID 65429365

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
SMILESCCCc1ccc(NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23NO/c1-3-4-15-5-9-17(10-6-15)19-14-13-16-7-11-18(20-2)12-8-16/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyHBPSDGDYKRPUOZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.30
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline

N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline (PubChem CID 65429365) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
PubChem CID65429365
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
SMILESCCCc1ccc(NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23NO/c1-3-4-15-5-9-17(10-6-15)19-14-13-16-7-11-18(20-2)12-8-16/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyHBPSDGDYKRPUOZ-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_B(1)', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63535943
ethane;1-methoxy-4-propylbenzene
CID 142085762
4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 62231026
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline
CID 29030576
N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine
CID 66350177
4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline
CID 69045313
N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
CID 54763230
4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80940431
2-(4-propylanilino)ethanethiol
CID 115223632

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline (CID 65429365) is N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline is CCCc1ccc(NCCc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline?
The InChIKey is HBPSDGDYKRPUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-4-15-5-9-17(10-6-15)19-14-13-16-7-11-18(20-2)12-8-16/h5-12,19H,3-4,13-14H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline?
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline is sourced from PubChem (CID 65429365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).