(E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine

C12H16ClN — CID 103092390

IUPAC(E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine
SMILESCCNC(C)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN/c1-3-14-10(2)4-5-11-6-8-12(13)9-7-11/h4-10,14H,3H2,1-2H3/b5-4+
InChIKeyRGQVHDFFXROOEZ-SNAWJCMRSA-N
MW209.72 g/mol
LogP3.35
Rot. Bonds4

About (E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine

(E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine (PubChem CID 103092390) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is (E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine
PubChem CID103092390
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name(E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine
SMILESCCNC(C)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN/c1-3-14-10(2)4-5-11-6-8-12(13)9-7-11/h4-10,14H,3H2,1-2H3/b5-4+
InChIKeyRGQVHDFFXROOEZ-SNAWJCMRSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene
CID 138964218
(E)-4-(3-chloro-4-methoxyphenyl)-N-ethylbut-3-en-2-amine
CID 103092349
(E)-4-(2,6-difluorophenyl)-N-ethylbut-3-en-2-amine
CID 103092570
(E)-4-(4-bromo-3-methylphenyl)-N-ethylbut-3-en-2-amine
CID 103092540
(E)-N-ethyl-4-(4-pentoxyphenyl)but-3-en-2-amine
CID 103092555
(E)-4-(4-chlorophenyl)but-3-en-2-ol
CID 11019514
4-(4-chlorophenyl)but-3-en-2-amine
CID 67270933
1-chloro-4-[(E)-3-(4-chlorophenyl)but-1-enyl]benzene
CID 11425891
1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene
CID 71334740
4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol
CID 103092341
(E)-4-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
CID 103092384
(E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine
CID 10954799

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine?
The IUPAC name of (E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine (CID 103092390) is (E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine is CCNC(C)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine?
The InChIKey is RGQVHDFFXROOEZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H16ClN/c1-3-14-10(2)4-5-11-6-8-12(13)9-7-11/h4-10,14H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine?
(E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine has a molecular weight of 209.72 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine is sourced from PubChem (CID 103092390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).