N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride

C17H20ClN — CID 173290020

IUPACN-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride
SMILESCCN(CC=Cc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C17H19N.ClH/c1-2-18(17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16;/h3-14H,2,15H2,1H3;1H
InChIKeyJMJHLRLZVZJSDJ-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.65
Rot. Bonds5

About N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride

N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride (PubChem CID 173290020) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride
PubChem CID173290020
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride
SMILESCCN(CC=Cc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C17H19N.ClH/c1-2-18(17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16;/h3-14H,2,15H2,1H3;1H
InChIKeyJMJHLRLZVZJSDJ-UHFFFAOYSA-N
XLogP4.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-bis[4-[ethyl(3-phenylprop-2-enyl)amino]phenyl]propanoic acid
CID 54376838
4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline
CID 10617075
N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
CID 173357254
N-(dimethylamino)-N-[ethyl(3-phenylprop-2-enyl)amino]aniline
CID 150835843
N,N-diethylaniline
CID 7061
4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline
CID 154621294
N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine
CID 139724022
N,N-diethylaniline;hydrazine
CID 161037544
benzene;but-1-enylbenzene
CID 157481332
N'-ethyl-N,N-dimethyl-N'-(3-phenylprop-2-enyl)ethane-1,2-diamine
CID 2845846
4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline
CID 138518680
N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline
CID 164888002

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride?
The IUPAC name of N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride (CID 173290020) is N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride.
What is the SMILES notation for N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride?
The canonical SMILES for N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride is CCN(CC=Cc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride?
The InChIKey is JMJHLRLZVZJSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N.ClH/c1-2-18(17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16;/h3-14H,2,15H2,1H3;1H.
What are the key properties of N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride?
N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride is sourced from PubChem (CID 173290020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).