(E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine

C14H21NO — CID 103093396

IUPAC(E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine
SMILESCCNC(C)/C(C)=C/c1ccc(OC)cc1
InChIInChI=1S/C14H21NO/c1-5-15-12(3)11(2)10-13-6-8-14(16-4)9-7-13/h6-10,12,15H,5H2,1-4H3/b11-10+
InChIKeyAPNRSIBZTNAKNC-ZHACJKMWSA-N
MW219.33 g/mol
LogP3.10
Rot. Bonds5

About (E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine

(E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine (PubChem CID 103093396) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine
PubChem CID103093396
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine
SMILESCCNC(C)/C(C)=C/c1ccc(OC)cc1
InChIInChI=1S/C14H21NO/c1-5-15-12(3)11(2)10-13-6-8-14(16-4)9-7-13/h6-10,12,15H,5H2,1-4H3/b11-10+
InChIKeyAPNRSIBZTNAKNC-ZHACJKMWSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine
CID 103093563
(Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092965
(Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine
CID 103092943
5-[(E)-3-(ethylamino)-2-methylbut-1-enyl]-2-fluorobenzonitrile
CID 114018091
2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol
CID 103093629
(E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093699
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338398
1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
CID 125475931
1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene
CID 79323342
1-(3-chloro-2-methylprop-1-enyl)-4-methoxybenzene
CID 70503857
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine?
The IUPAC name of (E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine (CID 103093396) is (E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine.
What is the SMILES notation for (E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine?
The canonical SMILES for (E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine is CCNC(C)/C(C)=C/c1ccc(OC)cc1.
What is the InChIKey of (E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine?
The InChIKey is APNRSIBZTNAKNC-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-15-12(3)11(2)10-13-6-8-14(16-4)9-7-13/h6-10,12,15H,5H2,1-4H3/b11-10+.
What are the key properties of (E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine?
(E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine has a molecular weight of 219.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine is sourced from PubChem (CID 103093396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).