3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride

C11H15Cl2N — CID 163540078

IUPAC3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride
SMILESCN(C)CC=Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H14ClN.ClH/c1-13(2)9-3-4-10-5-7-11(12)8-6-10;/h3-8H,9H2,1-2H3;1H
InChIKeyFAJJEJPUIUQYNX-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.34
Rot. Bonds3

About 3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride

3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride (PubChem CID 163540078) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride
PubChem CID163540078
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride
SMILESCN(C)CC=Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H14ClN.ClH/c1-13(2)9-3-4-10-5-7-11(12)8-6-10;/h3-8H,9H2,1-2H3;1H
InChIKeyFAJJEJPUIUQYNX-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-2-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]propanal
CID 174387751
4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
CID 58649433
1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene
CID 141391243
(Z)-3-(4-chlorophenyl)prop-2-en-1-amine
CID 58952108
1-chloro-4-[(E)-3-methylsulfanylprop-1-enyl]benzene
CID 131234815
1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene
CID 14044887
1-chloro-4-(4-methylpent-1-enyl)benzene
CID 156766327
5-(4-chlorophenyl)-N-methoxy-N-methylpent-4-enamide
CID 123711336
3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylprop-2-en-1-amine
CID 54409430
1-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-2-phenylethanol;hydrochloride
CID 22461789
(Z)-4-(4-chlorophenyl)but-3-en-1-ol
CID 117268088
(E)-N,N-dimethyl-3-thiophen-3-ylprop-2-en-1-amine
CID 20603574

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride (CID 163540078) is 3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride is CN(C)CC=Cc1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride?
The InChIKey is FAJJEJPUIUQYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN.ClH/c1-13(2)9-3-4-10-5-7-11(12)8-6-10;/h3-8H,9H2,1-2H3;1H.
What are the key properties of 3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride?
3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride has a molecular weight of 232.15 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 163540078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).