3-(3-chlorophenyl)-N-methylbut-3-en-1-amine

C11H14ClN — CID 117269039

IUPAC3-(3-chlorophenyl)-N-methylbut-3-en-1-amine
SMILESC=C(CCNC)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClN/c1-9(6-7-13-2)10-4-3-5-11(12)8-10/h3-5,8,13H,1,6-7H2,2H3
InChIKeyWURDKXLXWMDMGF-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.96
Rot. Bonds4

About 3-(3-chlorophenyl)-N-methylbut-3-en-1-amine

3-(3-chlorophenyl)-N-methylbut-3-en-1-amine (PubChem CID 117269039) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-methylbut-3-en-1-amine
PubChem CID117269039
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name3-(3-chlorophenyl)-N-methylbut-3-en-1-amine
SMILESC=C(CCNC)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClN/c1-9(6-7-13-2)10-4-3-5-11(12)8-10/h3-5,8,13H,1,6-7H2,2H3
InChIKeyWURDKXLXWMDMGF-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-chloro-3-[(2E)-4-methylpenta-2,4-dien-2-yl]benzene
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1-(3-chlorophenyl)ethenamine
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1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-4-(methylamino)butan-1-one;hydrochloride
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1-[(E)-but-2-en-2-yl]-3-chlorobenzene
CID 20717800
3-(3-chlorophenyl)-2-methylbut-3-en-2-ol
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3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine
CID 105475062
2-(3-chlorophenyl)prop-2-enenitrile
CID 21447869
[(3-chlorophenyl)-(methylamino)methylidene]-methylazanium
CID 7072253
1-(3-chlorophenyl)butane-1,3-dione
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N-(3-chlorophenyl)-4-(methylamino)butanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-methylbut-3-en-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-methylbut-3-en-1-amine (CID 117269039) is 3-(3-chlorophenyl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-methylbut-3-en-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-methylbut-3-en-1-amine is C=C(CCNC)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-methylbut-3-en-1-amine?
The InChIKey is WURDKXLXWMDMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-9(6-7-13-2)10-4-3-5-11(12)8-10/h3-5,8,13H,1,6-7H2,2H3.
What are the key properties of 3-(3-chlorophenyl)-N-methylbut-3-en-1-amine?
3-(3-chlorophenyl)-N-methylbut-3-en-1-amine has a molecular weight of 195.69 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 117269039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).