4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline

C18H21NO — CID 29045466

IUPAC4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
SMILESC=CCOc1ccc(CNc2ccc(CC)cc2)cc1
InChIInChI=1S/C18H21NO/c1-3-13-20-18-11-7-16(8-12-18)14-19-17-9-5-15(4-2)6-10-17/h3,5-12,19H,1,4,13-14H2,2H3
InChIKeyHVDCFMKODBAYEB-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.43
Rot. Bonds7

About 4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline

4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline (PubChem CID 29045466) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
PubChem CID29045466
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
SMILESC=CCOc1ccc(CNc2ccc(CC)cc2)cc1
InChIInChI=1S/C18H21NO/c1-3-13-20-18-11-7-16(8-12-18)14-19-17-9-5-15(4-2)6-10-17/h3,5-12,19H,1,4,13-14H2,2H3
InChIKeyHVDCFMKODBAYEB-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol
CID 61238423
4-nitro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 43226464
3,4-dichloro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 40603028
3,5-dichloro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 28548817
4-ethoxy-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 126126146
4-bromo-3-methoxy-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 82859870
1-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazol-4-amine
CID 43534816
3-chloro-4-fluoro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 28830718
3-bromo-5-methoxy-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 82860228
N-methoxy-1-(4-prop-2-enoxyphenyl)methanamine
CID 82706596
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 61167785
4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 66525608

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline?
The IUPAC name of 4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline (CID 29045466) is 4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline?
The canonical SMILES for 4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline is C=CCOc1ccc(CNc2ccc(CC)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline?
The InChIKey is HVDCFMKODBAYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-13-20-18-11-7-16(8-12-18)14-19-17-9-5-15(4-2)6-10-17/h3,5-12,19H,1,4,13-14H2,2H3.
What are the key properties of 4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline?
4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline has a molecular weight of 267.37 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline is sourced from PubChem (CID 29045466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).