N-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine

C11H25ClN2O — CID 107913644

IUPACN-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine
SMILESCCN(CC)CCN(C)CC(Cl)COC
InChIInChI=1S/C11H25ClN2O/c1-5-14(6-2)8-7-13(3)9-11(12)10-15-4/h11H,5-10H2,1-4H3
InChIKeyOFWFMYGBMJCBNF-UHFFFAOYSA-N
MW236.79 g/mol
LogP1.51
Rot. Bonds9

About N-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine

N-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine (PubChem CID 107913644) has the molecular formula C11H25ClN2O and a molecular weight of 236.79 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine
PubChem CID107913644
Molecular FormulaC11H25ClN2O
Molecular Weight236.79 g/mol
Exact Mass236.17
IUPAC NameN-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine
SMILESCCN(CC)CCN(C)CC(Cl)COC
InChIInChI=1S/C11H25ClN2O/c1-5-14(6-2)8-7-13(3)9-11(12)10-15-4/h11H,5-10H2,1-4H3
InChIKeyOFWFMYGBMJCBNF-UHFFFAOYSA-N
XLogP1.51
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine
CID 63387619
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,2-dimethylbutan-1-amine
CID 63387954
N-(3-chloro-4-methoxybutyl)-N',N'-diethylethane-1,2-diamine
CID 106242456
2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine
CID 107901004
(E)-N-(2-chloro-3-methoxypropyl)-N-methylbut-2-en-1-amine
CID 107897678
2-chloro-3-methoxy-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 63387621
N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide
CID 63400618
N-(2-chloro-3-methoxypropyl)-N,3-dimethylpentanamide
CID 114876844
ethane;N-ethyl-N'-(2-methoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 143417410
2-chloro-3-methoxy-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 64801718

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine (CID 107913644) is N-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine is CCN(CC)CCN(C)CC(Cl)COC.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine?
The InChIKey is OFWFMYGBMJCBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25ClN2O/c1-5-14(6-2)8-7-13(3)9-11(12)10-15-4/h11H,5-10H2,1-4H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine?
N-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine has a molecular weight of 236.79 g/mol, XLogP of 1.51, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 107913644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).