5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline

C11H15ClN2 — CID 115111097

IUPAC5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline
SMILESCN(C)c1cc(/C=C/CN)ccc1Cl
InChIInChI=1S/C11H15ClN2/c1-14(2)11-8-9(4-3-7-13)5-6-10(11)12/h3-6,8H,7,13H2,1-2H3/b4-3+
InChIKeyZXDLGJQQWINNDD-ONEGZZNKSA-N
MW210.71 g/mol
LogP2.38
Rot. Bonds3

About 5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline

5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline (PubChem CID 115111097) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline.

Molecular Properties

Compound Name5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline
PubChem CID115111097
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline
SMILESCN(C)c1cc(/C=C/CN)ccc1Cl
InChIInChI=1S/C11H15ClN2/c1-14(2)11-8-9(4-3-7-13)5-6-10(11)12/h3-6,8H,7,13H2,1-2H3/b4-3+
InChIKeyZXDLGJQQWINNDD-ONEGZZNKSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(E)-3-aminoprop-1-enyl]-N,N,2-trimethylaniline
CID 115111096
5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline
CID 115111094
(E)-3-(3-chloro-4-pentan-3-ylphenyl)prop-2-en-1-amine
CID 117348289
(E)-3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-amine
CID 82284249
(Z)-3-(4-chlorophenyl)prop-2-en-1-amine
CID 58952108
3-[3-chloro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463998
5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline
CID 117112205
methyl 4-(3-aminoprop-1-enyl)-2-chlorobenzoate
CID 169464022
2-[(E)-3-aminoprop-1-enyl]-N,N,4-trimethylaniline
CID 117282062
4-chloro-3-(dimethylamino)benzenethiol
CID 130120559
3-naphthalen-2-ylprop-2-en-1-amine
CID 76997157
(E)-3-(3-chloro-1-methylindazol-5-yl)prop-2-en-1-amine
CID 117317344

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline?
The IUPAC name of 5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline (CID 115111097) is 5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline.
What is the SMILES notation for 5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline?
The canonical SMILES for 5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline is CN(C)c1cc(/C=C/CN)ccc1Cl.
What is the InChIKey of 5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline?
The InChIKey is ZXDLGJQQWINNDD-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-14(2)11-8-9(4-3-7-13)5-6-10(11)12/h3-6,8H,7,13H2,1-2H3/b4-3+.
What are the key properties of 5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline?
5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline has a molecular weight of 210.71 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline is sourced from PubChem (CID 115111097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).