N-(2-butoxyethyl)-1-chloro-2-(chloromethyl)butan-2-amine

C11H23Cl2NO — CID 107867237

IUPACN-(2-butoxyethyl)-1-chloro-2-(chloromethyl)butan-2-amine
SMILESCCCCOCCNC(CC)(CCl)CCl
InChIInChI=1S/C11H23Cl2NO/c1-3-5-7-15-8-6-14-11(4-2,9-12)10-13/h14H,3-10H2,1-2H3
InChIKeyBZTQEPSHVGRJJI-UHFFFAOYSA-N
MW256.22 g/mol
LogP3.02
Rot. Bonds10

About N-(2-butoxyethyl)-1-chloro-2-(chloromethyl)butan-2-amine

N-(2-butoxyethyl)-1-chloro-2-(chloromethyl)butan-2-amine (PubChem CID 107867237) has the molecular formula C11H23Cl2NO and a molecular weight of 256.22 g/mol. Its IUPAC name is N-(2-butoxyethyl)-1-chloro-2-(chloromethyl)butan-2-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-1-chloro-2-(chloromethyl)butan-2-amine
PubChem CID107867237
Molecular FormulaC11H23Cl2NO
Molecular Weight256.22 g/mol
Exact Mass255.12
IUPAC NameN-(2-butoxyethyl)-1-chloro-2-(chloromethyl)butan-2-amine
SMILESCCCCOCCNC(CC)(CCl)CCl
InChIInChI=1S/C11H23Cl2NO/c1-3-5-7-15-8-6-14-11(4-2,9-12)10-13/h14H,3-10H2,1-2H3
InChIKeyBZTQEPSHVGRJJI-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 53.02
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-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)pentan-3-amine
CID 104567213
N-[1-chloro-2-(chloromethyl)butan-2-yl]heptan-1-amine
CID 107867089
N-(2-butoxyethyl)-2-methylpropan-2-amine
CID 61483179
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
N-(2-butoxyethyl)-4-chlorobutan-2-amine
CID 83186904
1-butoxybutane;N-methylmethanamine
CID 88830911
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
N-[3-[2-(2-butoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274543
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine
CID 106306173
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine
CID 104567239
N-methyl-2-octadecoxyethanamine
CID 175550654
2-decoxy-N-methylethanamine
CID 62337581

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-1-chloro-2-(chloromethyl)butan-2-amine?
The IUPAC name of N-(2-butoxyethyl)-1-chloro-2-(chloromethyl)butan-2-amine (CID 107867237) is N-(2-butoxyethyl)-1-chloro-2-(chloromethyl)butan-2-amine.
What is the SMILES notation for N-(2-butoxyethyl)-1-chloro-2-(chloromethyl)butan-2-amine?
The canonical SMILES for N-(2-butoxyethyl)-1-chloro-2-(chloromethyl)butan-2-amine is CCCCOCCNC(CC)(CCl)CCl.
What is the InChIKey of N-(2-butoxyethyl)-1-chloro-2-(chloromethyl)butan-2-amine?
The InChIKey is BZTQEPSHVGRJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23Cl2NO/c1-3-5-7-15-8-6-14-11(4-2,9-12)10-13/h14H,3-10H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-1-chloro-2-(chloromethyl)butan-2-amine?
N-(2-butoxyethyl)-1-chloro-2-(chloromethyl)butan-2-amine has a molecular weight of 256.22 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-1-chloro-2-(chloromethyl)butan-2-amine is sourced from PubChem (CID 107867237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).