N-(2-chloroethyl)-2-methoxyethanamine

C5H12ClNO — CID 64980906

IUPACN-(2-chloroethyl)-2-methoxyethanamine
SMILESCOCCNCCCl
InChIInChI=1S/C5H12ClNO/c1-8-5-4-7-3-2-6/h7H,2-5H2,1H3
InChIKeyZEDSVCJTJMJGOQ-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.46
Rot. Bonds5

About N-(2-chloroethyl)-2-methoxyethanamine

N-(2-chloroethyl)-2-methoxyethanamine (PubChem CID 64980906) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-methoxyethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-methoxyethanamine
PubChem CID64980906
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC NameN-(2-chloroethyl)-2-methoxyethanamine
SMILESCOCCNCCCl
InChIInChI=1S/C5H12ClNO/c1-8-5-4-7-3-2-6/h7H,2-5H2,1H3
InChIKeyZEDSVCJTJMJGOQ-UHFFFAOYSA-N
XLogP0.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104567151
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
CID 89324812
CID 89324812
N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine
CID 104649724
6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine
CID 114008238
3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 106306027
dichloromethane;2-methoxy-N-methylethanamine
CID 131725176
CID 177329395
CID 177329395
ethane;N-ethyl-2-methoxyethanamine
CID 53486475
CID 59347744
CID 59347744

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-methoxyethanamine?
The IUPAC name of N-(2-chloroethyl)-2-methoxyethanamine (CID 64980906) is N-(2-chloroethyl)-2-methoxyethanamine.
What is the SMILES notation for N-(2-chloroethyl)-2-methoxyethanamine?
The canonical SMILES for N-(2-chloroethyl)-2-methoxyethanamine is COCCNCCCl.
What is the InChIKey of N-(2-chloroethyl)-2-methoxyethanamine?
The InChIKey is ZEDSVCJTJMJGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO/c1-8-5-4-7-3-2-6/h7H,2-5H2,1H3.
What are the key properties of N-(2-chloroethyl)-2-methoxyethanamine?
N-(2-chloroethyl)-2-methoxyethanamine has a molecular weight of 137.61 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-methoxyethanamine is sourced from PubChem (CID 64980906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).