(E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine

C11H14ClNO — CID 82284249

IUPAC(E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine
SMILESCCOc1ccc(/C=C/CN)cc1Cl
InChIInChI=1S/C11H14ClNO/c1-2-14-11-6-5-9(4-3-7-13)8-10(11)12/h3-6,8H,2,7,13H2,1H3/b4-3+
InChIKeyCQZOAQQQKLHWFJ-ONEGZZNKSA-N
MW211.69 g/mol
LogP2.71
Rot. Bonds4

About (E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine

(E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine (PubChem CID 82284249) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine
PubChem CID82284249
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine
SMILESCCOc1ccc(/C=C/CN)cc1Cl
InChIInChI=1S/C11H14ClNO/c1-2-14-11-6-5-9(4-3-7-13)8-10(11)12/h3-6,8H,2,7,13H2,1H3/b4-3+
InChIKeyCQZOAQQQKLHWFJ-ONEGZZNKSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol
CID 141410707
3-(3-chloro-4-ethoxyphenyl)prop-2-enoyl chloride
CID 131846945
(E)-3-(3-chloro-4-pentan-3-ylphenyl)prop-2-en-1-amine
CID 117348289
(E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine
CID 117382839
2-(3-chloro-4-ethoxyphenoxy)ethanamine
CID 96671591
3-(3-chloro-4-ethoxyphenoxy)propan-1-amine
CID 98783905
4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine
CID 76996860
methyl 4-(3-aminoprop-1-enyl)-2-chlorobenzoate
CID 169464022
2-(3,4-diethoxyphenyl)ethenamine
CID 70502860
5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline
CID 115111097
3-[3-chloro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463998
4-(3-chloro-5-ethoxy-4-methoxyphenyl)but-3-en-1-amine
CID 76996980

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine (CID 82284249) is (E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine is CCOc1ccc(/C=C/CN)cc1Cl.
What is the InChIKey of (E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine?
The InChIKey is CQZOAQQQKLHWFJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-2-14-11-6-5-9(4-3-7-13)8-10(11)12/h3-6,8H,2,7,13H2,1H3/b4-3+.
What are the key properties of (E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine?
(E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine has a molecular weight of 211.69 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 82284249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).