2,3-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline

C18H21NO — CID 43765631

IUPAC2,3-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline
SMILESC=CCOc1ccccc1CNc1cccc(C)c1C
InChIInChI=1S/C18H21NO/c1-4-12-20-18-11-6-5-9-16(18)13-19-17-10-7-8-14(2)15(17)3/h4-11,19H,1,12-13H2,2-3H3
InChIKeyJSCORDDAZNJANZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.48
Rot. Bonds6

About 2,3-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline

2,3-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline (PubChem CID 43765631) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline
PubChem CID43765631
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2,3-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline
SMILESC=CCOc1ccccc1CNc1cccc(C)c1C
InChIInChI=1S/C18H21NO/c1-4-12-20-18-11-6-5-9-16(18)13-19-17-10-7-8-14(2)15(17)3/h4-11,19H,1,12-13H2,2-3H3
InChIKeyJSCORDDAZNJANZ-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.48
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-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 43780942
N-[(2-hexoxyphenyl)methyl]-2,3-dimethylaniline
CID 54797773
2-iodo-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 43773432
2-bromo-3-chloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 103477909
4-methyl-3-[(2-prop-2-enoxyphenyl)methylamino]benzonitrile
CID 62102985
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
2-[(2,3-dimethylanilino)methyl]phenol
CID 3236047
2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 65467216
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
2-bromo-5-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 107633184
N-[(2,3-dimethylphenyl)methyl]-2-methylaniline
CID 54944772

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline?
The IUPAC name of 2,3-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline (CID 43765631) is 2,3-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline?
The canonical SMILES for 2,3-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline is C=CCOc1ccccc1CNc1cccc(C)c1C.
What is the InChIKey of 2,3-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline?
The InChIKey is JSCORDDAZNJANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-12-20-18-11-6-5-9-16(18)13-19-17-10-7-8-14(2)15(17)3/h4-11,19H,1,12-13H2,2-3H3.
What are the key properties of 2,3-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline?
2,3-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline has a molecular weight of 267.37 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline is sourced from PubChem (CID 43765631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).