N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline

C19H23NO2 — CID 126122280

IUPACN-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline
SMILESC=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C19H23NO2/c1-5-7-16-11-15(12-18(21-3)19(16)22-4)13-20-17-9-6-8-14(2)10-17/h5-6,8-12,20H,1,7,13H2,2-4H3
InChIKeyKBMVAILCZZAHBJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.35
Rot. Bonds7

About N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline

N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline (PubChem CID 126122280) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline
PubChem CID126122280
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline
SMILESC=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C19H23NO2/c1-5-7-16-11-15(12-18(21-3)19(16)22-4)13-20-17-9-6-8-14(2)10-17/h5-6,8-12,20H,1,7,13H2,2-4H3
InChIKeyKBMVAILCZZAHBJ-UHFFFAOYSA-N
XLogP4.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(4-bromophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-3-methylaniline
CID 126116734
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline
CID 126120667
N-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-3-methylaniline
CID 126118027
N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
CID 784077
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-3-methylaniline
CID 126115921
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline
CID 126120783
4-ethoxy-N-[(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)methyl]aniline
CID 126126864
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylaniline
CID 2192356
3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-4-methylaniline
CID 126118020
3,5-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23880433
N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-methylaniline
CID 126127366
1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
CID 101116168

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline?
The IUPAC name of N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline (CID 126122280) is N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline.
What is the SMILES notation for N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline?
The canonical SMILES for N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline is C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OC.
What is the InChIKey of N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline?
The InChIKey is KBMVAILCZZAHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-5-7-16-11-15(12-18(21-3)19(16)22-4)13-20-17-9-6-8-14(2)10-17/h5-6,8-12,20H,1,7,13H2,2-4H3.
What are the key properties of N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline?
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline has a molecular weight of 297.40 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline is sourced from PubChem (CID 126122280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).