3-(2,6-dichlorophenyl)prop-2-en-1-amine

C9H9Cl2N — CID 76539417

IUPAC3-(2,6-dichlorophenyl)prop-2-en-1-amine
SMILESNCC=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2N/c10-8-4-1-5-9(11)7(8)3-2-6-12/h1-5H,6,12H2
InChIKeyZKUKFTDMEUCPPR-UHFFFAOYSA-N
MW202.08 g/mol
LogP2.97
Rot. Bonds2

About 3-(2,6-dichlorophenyl)prop-2-en-1-amine

3-(2,6-dichlorophenyl)prop-2-en-1-amine (PubChem CID 76539417) has the molecular formula C9H9Cl2N and a molecular weight of 202.08 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)prop-2-en-1-amine
PubChem CID76539417
Molecular FormulaC9H9Cl2N
Molecular Weight202.08 g/mol
Exact Mass201.01
IUPAC Name3-(2,6-dichlorophenyl)prop-2-en-1-amine
SMILESNCC=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2N/c10-8-4-1-5-9(11)7(8)3-2-6-12/h1-5H,6,12H2
InChIKeyZKUKFTDMEUCPPR-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.08
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-[2-chloro-6-(methoxymethyl)phenyl]prop-2-en-1-amine
CID 117302308
3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine
CID 169463183
3-(2,4-dichloro-3-pyridinyl)prop-2-en-1-amine
CID 169463336
3-(2,6-dimethylphenyl)prop-2-en-1-amine
CID 169463179
5-(2-chloro-6-fluorophenyl)pent-4-en-1-amine
CID 69342224
1,3-dichloro-2-[(E)-hept-1-enyl]benzene
CID 20721002
3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine
CID 131272725
1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 175740694
2-(3-aminoprop-1-enyl)-3-fluorophenol
CID 169463203
2-(3-aminoprop-1-enyl)-3-bromophenol
CID 169464695
2-(3-bromoprop-1-enyl)-3-chlorophenol
CID 169476663
N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347868

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)prop-2-en-1-amine?
The IUPAC name of 3-(2,6-dichlorophenyl)prop-2-en-1-amine (CID 76539417) is 3-(2,6-dichlorophenyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(2,6-dichlorophenyl)prop-2-en-1-amine?
The canonical SMILES for 3-(2,6-dichlorophenyl)prop-2-en-1-amine is NCC=Cc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)prop-2-en-1-amine?
The InChIKey is ZKUKFTDMEUCPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N/c10-8-4-1-5-9(11)7(8)3-2-6-12/h1-5H,6,12H2.
What are the key properties of 3-(2,6-dichlorophenyl)prop-2-en-1-amine?
3-(2,6-dichlorophenyl)prop-2-en-1-amine has a molecular weight of 202.08 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 76539417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).