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

C18H21NO — CID 30053969

IUPAC2,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
SMILESC=CCOc1ccc(CNc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H21NO/c1-4-11-20-17-8-6-16(7-9-17)13-19-18-10-5-14(2)12-15(18)3/h4-10,12,19H,1,11,13H2,2-3H3
InChIKeyHCFBBUOCQNSIMA-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.48
Rot. Bonds6

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

2,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline (PubChem CID 30053969) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
PubChem CID30053969
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
SMILESC=CCOc1ccc(CNc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H21NO/c1-4-11-20-17-8-6-16(7-9-17)13-19-18-10-5-14(2)12-15(18)3/h4-10,12,19H,1,11,13H2,2-3H3
InChIKeyHCFBBUOCQNSIMA-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-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 60931237
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline
CID 126120336
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119576
2,4-dimethyl-N-prop-2-enylaniline
CID 11768869
3-chloro-4-[(4-prop-2-enoxyphenyl)methylamino]benzonitrile
CID 107807535
N-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline
CID 79978662
4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 29045466
2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 43677797
3,5-dichloro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 28548817
N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 39357473
[2-[(4-prop-2-enoxyphenyl)methylamino]phenyl]methanol
CID 43743087
N-methoxy-1-(4-prop-2-enoxyphenyl)methanamine
CID 82706596

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline?
The IUPAC name of 2,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline (CID 30053969) is 2,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline.
What is the SMILES notation for 2,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline?
The canonical SMILES for 2,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline is C=CCOc1ccc(CNc2ccc(C)cc2C)cc1.
What is the InChIKey of 2,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline?
The InChIKey is HCFBBUOCQNSIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-11-20-17-8-6-16(7-9-17)13-19-18-10-5-14(2)12-15(18)3/h4-10,12,19H,1,11,13H2,2-3H3.
What are the key properties of 2,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline?
2,4-dimethyl-N-[(4-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 2,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline is sourced from PubChem (CID 30053969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).