N-prop-2-enyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline

C19H23NO3 — CID 112799993

IUPACN-prop-2-enyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
SMILESC=CCN(Cc1cc(OC)c(OC)cc1OC)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-5-11-20(16-9-7-6-8-10-16)14-15-12-18(22-3)19(23-4)13-17(15)21-2/h5-10,12-13H,1,11,14H2,2-4H3
InChIKeyGZYPYVCDCLLBMW-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.90
Rot. Bonds8

About N-prop-2-enyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline

N-prop-2-enyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline (PubChem CID 112799993) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-prop-2-enyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline.

Molecular Properties

Compound NameN-prop-2-enyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
PubChem CID112799993
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-prop-2-enyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
SMILESC=CCN(Cc1cc(OC)c(OC)cc1OC)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-5-11-20(16-9-7-6-8-10-16)14-15-12-18(22-3)19(23-4)13-17(15)21-2/h5-10,12-13H,1,11,14H2,2-4H3
InChIKeyGZYPYVCDCLLBMW-UHFFFAOYSA-N
XLogP3.90
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide
CID 52564335
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CID 70317001
N-prop-2-enyl-N-propylaniline;hydrochloride
CID 131737394
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate
CID 3814252
2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid
CID 39364528
N'-phenyl-N'-prop-2-enylethane-1,2-diamine
CID 67884989
2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 720349
N-[(2,4,5-trimethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 6461052
N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
CID 134016517
CID 11374036
CID 11374036
N-benzyl-4-chloro-N-prop-2-enylaniline
CID 11973984
3-[N-[(5-bromo-2-methoxyphenyl)methyl]anilino]propanenitrile
CID 60688873

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline?
The IUPAC name of N-prop-2-enyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline (CID 112799993) is N-prop-2-enyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline.
What is the SMILES notation for N-prop-2-enyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline?
The canonical SMILES for N-prop-2-enyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline is C=CCN(Cc1cc(OC)c(OC)cc1OC)c1ccccc1.
What is the InChIKey of N-prop-2-enyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline?
The InChIKey is GZYPYVCDCLLBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-5-11-20(16-9-7-6-8-10-16)14-15-12-18(22-3)19(23-4)13-17(15)21-2/h5-10,12-13H,1,11,14H2,2-4H3.
What are the key properties of N-prop-2-enyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline?
N-prop-2-enyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline has a molecular weight of 313.40 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline is sourced from PubChem (CID 112799993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).