2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine

C7H13Cl2NO — CID 79167154

IUPAC2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine
SMILESCOCCCNCC(Cl)=CCl
InChIInChI=1S/C7H13Cl2NO/c1-11-4-2-3-10-6-7(9)5-8/h5,10H,2-4,6H2,1H3
InChIKeyUAMGVMJPSYYOKD-UHFFFAOYSA-N
MW198.09 g/mol
LogP1.93
Rot. Bonds6

About 2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine

2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine (PubChem CID 79167154) has the molecular formula C7H13Cl2NO and a molecular weight of 198.09 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine
PubChem CID79167154
Molecular FormulaC7H13Cl2NO
Molecular Weight198.09 g/mol
Exact Mass197.04
IUPAC Name2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine
SMILESCOCCCNCC(Cl)=CCl
InChIInChI=1S/C7H13Cl2NO/c1-11-4-2-3-10-6-7(9)5-8/h5,10H,2-4,6H2,1H3
InChIKeyUAMGVMJPSYYOKD-UHFFFAOYSA-N
XLogP1.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.09
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxypropylamino)acetyl chloride
CID 174793252
4-(2,3-dichloroprop-2-enylamino)-1-methoxybutan-2-ol
CID 106246561
N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79167644
N-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine
CID 79167152
(Z)-2,3-dichloro-N-ethylprop-2-en-1-amine
CID 131438238
(E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine
CID 106401566
2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine
CID 104864624
N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide
CID 79168502
2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine
CID 103179451
N-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 79168321
(E)-4-chloro-N-(3-methoxypropyl)but-2-en-1-amine
CID 81429259
N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide
CID 43153290

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine (CID 79167154) is 2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine is COCCCNCC(Cl)=CCl.
What is the InChIKey of 2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine?
The InChIKey is UAMGVMJPSYYOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl2NO/c1-11-4-2-3-10-6-7(9)5-8/h5,10H,2-4,6H2,1H3.
What are the key properties of 2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine?
2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine has a molecular weight of 198.09 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine is sourced from PubChem (CID 79167154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).