3-chloro-N,N-diethyl-3-(2-methylpropoxy)propan-1-amine

C11H24ClNO — CID 88634228

IUPAC3-chloro-N,N-diethyl-3-(2-methylpropoxy)propan-1-amine
SMILESCCN(CC)CCC(Cl)OCC(C)C
InChIInChI=1S/C11H24ClNO/c1-5-13(6-2)8-7-11(12)14-9-10(3)4/h10-11H,5-9H2,1-4H3
InChIKeyXXGAQMSJLMPYLJ-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.96
Rot. Bonds8

About 3-chloro-N,N-diethyl-3-(2-methylpropoxy)propan-1-amine

3-chloro-N,N-diethyl-3-(2-methylpropoxy)propan-1-amine (PubChem CID 88634228) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is 3-chloro-N,N-diethyl-3-(2-methylpropoxy)propan-1-amine.

Molecular Properties

Compound Name3-chloro-N,N-diethyl-3-(2-methylpropoxy)propan-1-amine
PubChem CID88634228
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC Name3-chloro-N,N-diethyl-3-(2-methylpropoxy)propan-1-amine
SMILESCCN(CC)CCC(Cl)OCC(C)C
InChIInChI=1S/C11H24ClNO/c1-5-13(6-2)8-7-11(12)14-9-10(3)4/h10-11H,5-9H2,1-4H3
InChIKeyXXGAQMSJLMPYLJ-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N,N-dimethyl-3-(2-methylpropoxy)propan-1-amine
CID 88737758
4-ethoxy-N,N-diethyl-3-methylbutan-1-amine
CID 10773944
N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine
CID 63627903
N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287
ethane;2-methyl-1-propan-2-yloxypropane
CID 143798682
ethane;2-methyl-1-propan-2-yloxypropane
CID 145385710
N,N-diethyl-15-methylhexadecan-1-amine
CID 139723585
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
N,N-diethyl-7-methyloctan-1-amine
CID 140640735
N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 62565030
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042
2-[chloro(phenyl)methoxy]-N,N-diethylethanamine
CID 70132792

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-diethyl-3-(2-methylpropoxy)propan-1-amine?
The IUPAC name of 3-chloro-N,N-diethyl-3-(2-methylpropoxy)propan-1-amine (CID 88634228) is 3-chloro-N,N-diethyl-3-(2-methylpropoxy)propan-1-amine.
What is the SMILES notation for 3-chloro-N,N-diethyl-3-(2-methylpropoxy)propan-1-amine?
The canonical SMILES for 3-chloro-N,N-diethyl-3-(2-methylpropoxy)propan-1-amine is CCN(CC)CCC(Cl)OCC(C)C.
What is the InChIKey of 3-chloro-N,N-diethyl-3-(2-methylpropoxy)propan-1-amine?
The InChIKey is XXGAQMSJLMPYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO/c1-5-13(6-2)8-7-11(12)14-9-10(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-chloro-N,N-diethyl-3-(2-methylpropoxy)propan-1-amine?
3-chloro-N,N-diethyl-3-(2-methylpropoxy)propan-1-amine has a molecular weight of 221.77 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-diethyl-3-(2-methylpropoxy)propan-1-amine is sourced from PubChem (CID 88634228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).