4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline

C19H23NO — CID 154621294

IUPAC4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline
SMILESCCCN(C/C=C/c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C19H23NO/c1-3-15-20(18-11-13-19(21-2)14-12-18)16-7-10-17-8-5-4-6-9-17/h4-14H,3,15-16H2,1-2H3/b10-7+
InChIKeyDWEXUJXAQBEPTJ-JXMROGBWSA-N
MW281.40 g/mol
LogP4.62
Rot. Bonds7

About 4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline

4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline (PubChem CID 154621294) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline.

Molecular Properties

Compound Name4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline
PubChem CID154621294
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline
SMILESCCCN(C/C=C/c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C19H23NO/c1-3-15-20(18-11-13-19(21-2)14-12-18)16-7-10-17-8-5-4-6-9-17/h4-14H,3,15-16H2,1-2H3/b10-7+
InChIKeyDWEXUJXAQBEPTJ-JXMROGBWSA-N
XLogP4.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline
CID 138518680
N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride
CID 173290020
4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline
CID 10617075
N,2-bis(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 42696235
(E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine
CID 122220925
N,N-diethyl-4-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]aniline
CID 59296852
4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 42696245
4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline
CID 59055952
3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide
CID 42696233
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
N'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine
CID 57094572
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline?
The IUPAC name of 4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline (CID 154621294) is 4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline.
What is the SMILES notation for 4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline?
The canonical SMILES for 4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline is CCCN(C/C=C/c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline?
The InChIKey is DWEXUJXAQBEPTJ-JXMROGBWSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-15-20(18-11-13-19(21-2)14-12-18)16-7-10-17-8-5-4-6-9-17/h4-14H,3,15-16H2,1-2H3/b10-7+.
What are the key properties of 4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline?
4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline has a molecular weight of 281.40 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline is sourced from PubChem (CID 154621294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).