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

C11H14ClN — CID 54775752

IUPAC(E)-4-(3-chlorophenyl)-N-methylbut-3-en-2-amine
SMILESCNC(C)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C11H14ClN/c1-9(13-2)6-7-10-4-3-5-11(12)8-10/h3-9,13H,1-2H3/b7-6+
InChIKeyAMLDURPEXBBOQX-VOTSOKGWSA-N
MW195.69 g/mol
LogP2.96
Rot. Bonds3

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

(E)-4-(3-chlorophenyl)-N-methylbut-3-en-2-amine (PubChem CID 54775752) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is (E)-4-(3-chlorophenyl)-N-methylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(3-chlorophenyl)-N-methylbut-3-en-2-amine
PubChem CID54775752
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name(E)-4-(3-chlorophenyl)-N-methylbut-3-en-2-amine
SMILESCNC(C)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C11H14ClN/c1-9(13-2)6-7-10-4-3-5-11(12)8-10/h3-9,13H,1-2H3/b7-6+
InChIKeyAMLDURPEXBBOQX-VOTSOKGWSA-N
XLogP2.96
TPSA12.03 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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(3,5-dichlorophenyl)-N-methylbut-3-en-2-amine
CID 103092077
(E)-N-methyl-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine
CID 103092042
1-chloro-3-[(E)-3-ethylsulfanylbut-1-enyl]benzene
CID 166448538
3-(3-chlorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340878
1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene
CID 66772159
4-[(E)-3-(methylamino)but-1-enyl]phenol
CID 103092127
[(E)-2-(3-chlorophenyl)ethenyl]-trimethylsilane
CID 15743326
1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 59987342
4-(3-chlorophenyl)-N-(2-methylpropyl)but-3-en-1-amine
CID 79598788
3-(3-chlorophenyl)prop-2-enal
CID 2763111
N-butan-2-yl-3-(3-chlorophenyl)prop-2-enamide
CID 4106127
(E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418514

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-chlorophenyl)-N-methylbut-3-en-2-amine?
The IUPAC name of (E)-4-(3-chlorophenyl)-N-methylbut-3-en-2-amine (CID 54775752) is (E)-4-(3-chlorophenyl)-N-methylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(3-chlorophenyl)-N-methylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(3-chlorophenyl)-N-methylbut-3-en-2-amine is CNC(C)/C=C/c1cccc(Cl)c1.
What is the InChIKey of (E)-4-(3-chlorophenyl)-N-methylbut-3-en-2-amine?
The InChIKey is AMLDURPEXBBOQX-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H14ClN/c1-9(13-2)6-7-10-4-3-5-11(12)8-10/h3-9,13H,1-2H3/b7-6+.
What are the key properties of (E)-4-(3-chlorophenyl)-N-methylbut-3-en-2-amine?
(E)-4-(3-chlorophenyl)-N-methylbut-3-en-2-amine has a molecular weight of 195.69 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-chlorophenyl)-N-methylbut-3-en-2-amine is sourced from PubChem (CID 54775752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).