N,N-bis(2-chloroethyl)-1-methoxyethanamine

C7H15Cl2NO — CID 87908945

IUPACN,N-bis(2-chloroethyl)-1-methoxyethanamine
SMILESCOC(C)N(CCCl)CCCl
InChIInChI=1S/C7H15Cl2NO/c1-7(11-2)10(5-3-8)6-4-9/h7H,3-6H2,1-2H3
InChIKeyVARRAYGUCJADPD-UHFFFAOYSA-N
MW200.11 g/mol
LogP1.76
Rot. Bonds6

About N,N-bis(2-chloroethyl)-1-methoxyethanamine

N,N-bis(2-chloroethyl)-1-methoxyethanamine (PubChem CID 87908945) has the molecular formula C7H15Cl2NO and a molecular weight of 200.11 g/mol. Its IUPAC name is N,N-bis(2-chloroethyl)-1-methoxyethanamine.

Molecular Properties

Compound NameN,N-bis(2-chloroethyl)-1-methoxyethanamine
PubChem CID87908945
Molecular FormulaC7H15Cl2NO
Molecular Weight200.11 g/mol
Exact Mass199.05
IUPAC NameN,N-bis(2-chloroethyl)-1-methoxyethanamine
SMILESCOC(C)N(CCCl)CCCl
InChIInChI=1S/C7H15Cl2NO/c1-7(11-2)10(5-3-8)6-4-9/h7H,3-6H2,1-2H3
InChIKeyVARRAYGUCJADPD-UHFFFAOYSA-N
XLogP1.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-chloroethyl)-1-methoxyethanamine?
The IUPAC name of N,N-bis(2-chloroethyl)-1-methoxyethanamine (CID 87908945) is N,N-bis(2-chloroethyl)-1-methoxyethanamine.
What is the SMILES notation for N,N-bis(2-chloroethyl)-1-methoxyethanamine?
The canonical SMILES for N,N-bis(2-chloroethyl)-1-methoxyethanamine is COC(C)N(CCCl)CCCl.
What is the InChIKey of N,N-bis(2-chloroethyl)-1-methoxyethanamine?
The InChIKey is VARRAYGUCJADPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Cl2NO/c1-7(11-2)10(5-3-8)6-4-9/h7H,3-6H2,1-2H3.
What are the key properties of N,N-bis(2-chloroethyl)-1-methoxyethanamine?
N,N-bis(2-chloroethyl)-1-methoxyethanamine has a molecular weight of 200.11 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-chloroethyl)-1-methoxyethanamine is sourced from PubChem (CID 87908945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).