3-(2-chloroethoxy)propan-1-amine

C5H12ClNO — CID 106306176

IUPAC3-(2-chloroethoxy)propan-1-amine
SMILESNCCCOCCCl
InChIInChI=1S/C5H12ClNO/c6-2-5-8-4-1-3-7/h1-5,7H2
InChIKeyBNTVJXIVHAZQCV-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.59
Rot. Bonds5

About 3-(2-chloroethoxy)propan-1-amine

3-(2-chloroethoxy)propan-1-amine (PubChem CID 106306176) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is 3-(2-chloroethoxy)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloroethoxy)propan-1-amine
PubChem CID106306176
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name3-(2-chloroethoxy)propan-1-amine
SMILESNCCCOCCCl
InChIInChI=1S/C5H12ClNO/c6-2-5-8-4-1-3-7/h1-5,7H2
InChIKeyBNTVJXIVHAZQCV-UHFFFAOYSA-N
XLogP0.59
TPSA35.25 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 ≤ 50.59
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

3-(chloromethoxy)propan-1-amine
CID 139894761
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 13072765
1-chloro-2-(2-chloroethoxy)ethane;dichloromethane
CID 174956973
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane
CID 21428408
1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane
CID 176729124
3-[2-(4-methylpentoxy)ethoxy]propan-1-amine
CID 155228800
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethoxy)propan-1-amine?
The IUPAC name of 3-(2-chloroethoxy)propan-1-amine (CID 106306176) is 3-(2-chloroethoxy)propan-1-amine.
What is the SMILES notation for 3-(2-chloroethoxy)propan-1-amine?
The canonical SMILES for 3-(2-chloroethoxy)propan-1-amine is NCCCOCCCl.
What is the InChIKey of 3-(2-chloroethoxy)propan-1-amine?
The InChIKey is BNTVJXIVHAZQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO/c6-2-5-8-4-1-3-7/h1-5,7H2.
What are the key properties of 3-(2-chloroethoxy)propan-1-amine?
3-(2-chloroethoxy)propan-1-amine has a molecular weight of 137.61 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethoxy)propan-1-amine is sourced from PubChem (CID 106306176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).