(E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine

C14H21NO — CID 122220925

IUPAC(E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine
SMILESCCN(CC)C/C=C/c1ccc(OC)cc1
InChIInChI=1S/C14H21NO/c1-4-15(5-2)12-6-7-13-8-10-14(16-3)11-9-13/h6-11H,4-5,12H2,1-3H3/b7-6+
InChIKeyMCKJMUJTHMIUGG-VOTSOKGWSA-N
MW219.33 g/mol
LogP3.05
Rot. Bonds6

About (E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine

(E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine (PubChem CID 122220925) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine
PubChem CID122220925
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine
SMILESCCN(CC)C/C=C/c1ccc(OC)cc1
InChIInChI=1S/C14H21NO/c1-4-15(5-2)12-6-7-13-8-10-14(16-3)11-9-13/h6-11H,4-5,12H2,1-3H3/b7-6+
InChIKeyMCKJMUJTHMIUGG-VOTSOKGWSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol
CID 6366807
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1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
CID 135075727
(E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride
CID 45261861
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene
CID 54162111
N,N-diethyl-4-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]aniline
CID 59296852
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline
CID 154621294
5-(4-methoxyphenyl)pent-4-enoic acid
CID 54081465
1-(3-butoxyprop-1-enyl)-4-methoxybenzene
CID 72750834
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CID 90934747

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine (CID 122220925) is (E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine is CCN(CC)C/C=C/c1ccc(OC)cc1.
What is the InChIKey of (E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine?
The InChIKey is MCKJMUJTHMIUGG-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-15(5-2)12-6-7-13-8-10-14(16-3)11-9-13/h6-11H,4-5,12H2,1-3H3/b7-6+.
What are the key properties of (E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine?
(E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 122220925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).