N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline

C17H19NO — CID 58421196

IUPACN-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline
SMILESC=Cc1ccc(COCCNc2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-2-15-8-10-16(11-9-15)14-19-13-12-18-17-6-4-3-5-7-17/h2-11,18H,1,12-14H2
InChIKeyONFHDBMWQGJDJJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.96
Rot. Bonds7

About N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline

N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline (PubChem CID 58421196) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline.

Molecular Properties

Compound NameN-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline
PubChem CID58421196
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline
SMILESC=Cc1ccc(COCCNc2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-2-15-8-10-16(11-9-15)14-19-13-12-18-17-6-4-3-5-7-17/h2-11,18H,1,12-14H2
InChIKeyONFHDBMWQGJDJJ-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
N-(2-phenylmethoxyethyl)pyridin-4-amine
CID 131164924
methoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde
CID 169146674
1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol
CID 54054142
3-[(4-ethenylphenyl)methoxy]propan-1-amine
CID 164938330
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
2-phenylmethoxy-N-prop-2-enoxyethanamine
CID 130844891
1-ethenyl-4-(phenylmethoxymethoxy)benzene
CID 54554930
1-ethenyl-4-(pentoxymethyl)benzene
CID 12541564
(4-ethenylphenyl)methoxymethylsilane
CID 159198884
4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline
CID 89417377
16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine
CID 176835378

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline?
The IUPAC name of N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline (CID 58421196) is N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline.
What is the SMILES notation for N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline?
The canonical SMILES for N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline is C=Cc1ccc(COCCNc2ccccc2)cc1.
What is the InChIKey of N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline?
The InChIKey is ONFHDBMWQGJDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-15-8-10-16(11-9-15)14-19-13-12-18-17-6-4-3-5-7-17/h2-11,18H,1,12-14H2.
What are the key properties of N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline?
N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline has a molecular weight of 253.34 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline is sourced from PubChem (CID 58421196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).