2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine

C8H15Cl2NO — CID 107901004

IUPAC2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine
SMILESCOCC(Cl)CN(C)C/C=C/Cl
InChIInChI=1S/C8H15Cl2NO/c1-11(5-3-4-9)6-8(10)7-12-2/h3-4,8H,5-7H2,1-2H3/b4-3+
InChIKeyWYHOXJQTKAINJJ-ONEGZZNKSA-N
MW212.12 g/mol
LogP1.92
Rot. Bonds6

About 2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine

2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine (PubChem CID 107901004) has the molecular formula C8H15Cl2NO and a molecular weight of 212.12 g/mol. Its IUPAC name is 2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine
PubChem CID107901004
Molecular FormulaC8H15Cl2NO
Molecular Weight212.12 g/mol
Exact Mass211.05
IUPAC Name2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine
SMILESCOCC(Cl)CN(C)C/C=C/Cl
InChIInChI=1S/C8H15Cl2NO/c1-11(5-3-4-9)6-8(10)7-12-2/h3-4,8H,5-7H2,1-2H3/b4-3+
InChIKeyWYHOXJQTKAINJJ-ONEGZZNKSA-N
XLogP1.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-chloro-3-methoxypropyl)-N-methylbut-2-en-1-amine
CID 107897678
N'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine
CID 63387619
N-(2-chloro-3-methoxypropyl)-N,2-dimethylbutan-1-amine
CID 63387954
2-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylpropan-1-amine
CID 107901100
N-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine
CID 107913644
2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine
CID 106457635
2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine
CID 106730931
N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide
CID 63400618
(E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 131234785
2-chloro-3-methoxy-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 64801718
N-(2-chloro-3-methoxypropyl)-5-methoxy-N-methylpyridin-2-amine
CID 106505054
N-(2-chloro-3-methoxypropyl)-N,3-dimethylpentanamide
CID 114876844

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of 2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine (CID 107901004) is 2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine is COCC(Cl)CN(C)C/C=C/Cl.
What is the InChIKey of 2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine?
The InChIKey is WYHOXJQTKAINJJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H15Cl2NO/c1-11(5-3-4-9)6-8(10)7-12-2/h3-4,8H,5-7H2,1-2H3/b4-3+.
What are the key properties of 2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine?
2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine has a molecular weight of 212.12 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 107901004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).