1-(5-chloro-2-ethylphenyl)prop-2-en-1-amine

C11H14ClN — CID 55269972

IUPAC1-(5-chloro-2-ethylphenyl)prop-2-en-1-amine
SMILESC=CC(N)c1cc(Cl)ccc1CC
InChIInChI=1S/C11H14ClN/c1-3-8-5-6-9(12)7-10(8)11(13)4-2/h4-7,11H,2-3,13H2,1H3
InChIKeyQTYDIKOCDSQJGC-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.09
Rot. Bonds3

About 1-(5-chloro-2-ethylphenyl)prop-2-en-1-amine

1-(5-chloro-2-ethylphenyl)prop-2-en-1-amine (PubChem CID 55269972) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 1-(5-chloro-2-ethylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-ethylphenyl)prop-2-en-1-amine
PubChem CID55269972
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name1-(5-chloro-2-ethylphenyl)prop-2-en-1-amine
SMILESC=CC(N)c1cc(Cl)ccc1CC
InChIInChI=1S/C11H14ClN/c1-3-8-5-6-9(12)7-10(8)11(13)4-2/h4-7,11H,2-3,13H2,1H3
InChIKeyQTYDIKOCDSQJGC-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(1-aminoprop-2-enyl)-4-ethylphenol
CID 55282730
2-(1-aminoprop-2-enyl)-4-chloroaniline
CID 55283411
(1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 131139061
(1S)-1-(4-chloro-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171231441
4-chloro-2-ethenyl-1-ethylbenzene
CID 118269080
4-chloro-1-ethyl-2-propylbenzene
CID 144500548
1-(4-chlorophenyl)prop-2-en-1-amine
CID 12987192
2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one
CID 84678785
4-chloro-1-ethyl-2-iodobenzene
CID 68984613
1-(5-chloro-2-fluorophenyl)but-3-en-1-amine
CID 55270710
3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine
CID 130955912
(1R)-1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55278051

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethylphenyl)prop-2-en-1-amine?
The IUPAC name of 1-(5-chloro-2-ethylphenyl)prop-2-en-1-amine (CID 55269972) is 1-(5-chloro-2-ethylphenyl)prop-2-en-1-amine.
What is the SMILES notation for 1-(5-chloro-2-ethylphenyl)prop-2-en-1-amine?
The canonical SMILES for 1-(5-chloro-2-ethylphenyl)prop-2-en-1-amine is C=CC(N)c1cc(Cl)ccc1CC.
What is the InChIKey of 1-(5-chloro-2-ethylphenyl)prop-2-en-1-amine?
The InChIKey is QTYDIKOCDSQJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-3-8-5-6-9(12)7-10(8)11(13)4-2/h4-7,11H,2-3,13H2,1H3.
What are the key properties of 1-(5-chloro-2-ethylphenyl)prop-2-en-1-amine?
1-(5-chloro-2-ethylphenyl)prop-2-en-1-amine has a molecular weight of 195.69 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 55269972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).