2-chloro-N-methyl-N-[2-(3-methylbutoxy)ethyl]propan-1-amine

C11H24ClNO — CID 63387416

IUPAC2-chloro-N-methyl-N-[2-(3-methylbutoxy)ethyl]propan-1-amine
SMILESCC(C)CCOCCN(C)CC(C)Cl
InChIInChI=1S/C11H24ClNO/c1-10(2)5-7-14-8-6-13(4)9-11(3)12/h10-11H,5-9H2,1-4H3
InChIKeyYSHMZFLSOQLVMY-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.61
Rot. Bonds8

About 2-chloro-N-methyl-N-[2-(3-methylbutoxy)ethyl]propan-1-amine

2-chloro-N-methyl-N-[2-(3-methylbutoxy)ethyl]propan-1-amine (PubChem CID 63387416) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[2-(3-methylbutoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[2-(3-methylbutoxy)ethyl]propan-1-amine
PubChem CID63387416
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC Name2-chloro-N-methyl-N-[2-(3-methylbutoxy)ethyl]propan-1-amine
SMILESCC(C)CCOCCN(C)CC(C)Cl
InChIInChI=1S/C11H24ClNO/c1-10(2)5-7-14-8-6-13(4)9-11(3)12/h10-11H,5-9H2,1-4H3
InChIKeyYSHMZFLSOQLVMY-UHFFFAOYSA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.77
LogP ≤ 52.61
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[2-(3-methylbutoxy)ethyl]propan-1-amine?
The IUPAC name of 2-chloro-N-methyl-N-[2-(3-methylbutoxy)ethyl]propan-1-amine (CID 63387416) is 2-chloro-N-methyl-N-[2-(3-methylbutoxy)ethyl]propan-1-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-[2-(3-methylbutoxy)ethyl]propan-1-amine?
The canonical SMILES for 2-chloro-N-methyl-N-[2-(3-methylbutoxy)ethyl]propan-1-amine is CC(C)CCOCCN(C)CC(C)Cl.
What is the InChIKey of 2-chloro-N-methyl-N-[2-(3-methylbutoxy)ethyl]propan-1-amine?
The InChIKey is YSHMZFLSOQLVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO/c1-10(2)5-7-14-8-6-13(4)9-11(3)12/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-chloro-N-methyl-N-[2-(3-methylbutoxy)ethyl]propan-1-amine?
2-chloro-N-methyl-N-[2-(3-methylbutoxy)ethyl]propan-1-amine has a molecular weight of 221.77 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[2-(3-methylbutoxy)ethyl]propan-1-amine is sourced from PubChem (CID 63387416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).