4-[1-(4-methoxyphenyl)ethyl]aniline

C15H17NO — CID 11644284

IUPAC4-[1-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)c2ccc(N)cc2)cc1
InChIInChI=1S/C15H17NO/c1-11(12-3-7-14(16)8-4-12)13-5-9-15(17-2)10-6-13/h3-11H,16H2,1-2H3
InChIKeyLHVVUUPFCGXQHF-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.43
Rot. Bonds3

About 4-[1-(4-methoxyphenyl)ethyl]aniline

4-[1-(4-methoxyphenyl)ethyl]aniline (PubChem CID 11644284) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)ethyl]aniline
PubChem CID11644284
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-[1-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)c2ccc(N)cc2)cc1
InChIInChI=1S/C15H17NO/c1-11(12-3-7-14(16)8-4-12)13-5-9-15(17-2)10-6-13/h3-11H,16H2,1-2H3
InChIKeyLHVVUUPFCGXQHF-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline
CID 70667408
ethane;4-methoxyaniline
CID 144603339
4-methoxyaniline;hydrobromide
CID 518270
4-[4-[1-[4-(4-aminophenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139712997
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
O-[1-(4-methoxyphenyl)ethyl]hydroxylamine
CID 55269080
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
methyl 4-[1-(4-aminophenyl)ethyl]benzoate
CID 175023577
2-(4-aminophenyl)-2-[2-[[1-(4-methoxyphenyl)-2-sulfanylethyl]amino]ethylamino]ethanethiol
CID 143265119
5-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 64707914

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 4-[1-(4-methoxyphenyl)ethyl]aniline (CID 11644284) is 4-[1-(4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 4-[1-(4-methoxyphenyl)ethyl]aniline is COc1ccc(C(C)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)ethyl]aniline?
The InChIKey is LHVVUUPFCGXQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11(12-3-7-14(16)8-4-12)13-5-9-15(17-2)10-6-13/h3-11H,16H2,1-2H3.
What are the key properties of 4-[1-(4-methoxyphenyl)ethyl]aniline?
4-[1-(4-methoxyphenyl)ethyl]aniline has a molecular weight of 227.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 11644284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).