3-(chloromethoxy)propan-1-amine

C4H10ClNO — CID 139894761

IUPAC3-(chloromethoxy)propan-1-amine
SMILESNCCCOCCl
InChIInChI=1S/C4H10ClNO/c5-4-7-3-1-2-6/h1-4,6H2
InChIKeyQGSGPZOVSQLCSB-UHFFFAOYSA-N
MW123.58 g/mol
LogP0.55
Rot. Bonds4

About 3-(chloromethoxy)propan-1-amine

3-(chloromethoxy)propan-1-amine (PubChem CID 139894761) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is 3-(chloromethoxy)propan-1-amine.

Molecular Properties

Compound Name3-(chloromethoxy)propan-1-amine
PubChem CID139894761
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC Name3-(chloromethoxy)propan-1-amine
SMILESNCCCOCCl
InChIInChI=1S/C4H10ClNO/c5-4-7-3-1-2-6/h1-4,6H2
InChIKeyQGSGPZOVSQLCSB-UHFFFAOYSA-N
XLogP0.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.58
LogP ≤ 50.55
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-(2-chloroethoxy)propan-1-amine
CID 106306176
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
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
3-(dihydroxyamino)oxypropan-1-amine
CID 88939530
1-(chloromethoxy)nonane
CID 12579125
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179
2-[3-(3-aminopropoxy)propoxy]ethanol
CID 87504728
4-[2-(3-aminopropoxy)ethoxy]butan-1-ol
CID 58517376
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethoxy)propan-1-amine?
The IUPAC name of 3-(chloromethoxy)propan-1-amine (CID 139894761) is 3-(chloromethoxy)propan-1-amine.
What is the SMILES notation for 3-(chloromethoxy)propan-1-amine?
The canonical SMILES for 3-(chloromethoxy)propan-1-amine is NCCCOCCl.
What is the InChIKey of 3-(chloromethoxy)propan-1-amine?
The InChIKey is QGSGPZOVSQLCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO/c5-4-7-3-1-2-6/h1-4,6H2.
What are the key properties of 3-(chloromethoxy)propan-1-amine?
3-(chloromethoxy)propan-1-amine has a molecular weight of 123.58 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethoxy)propan-1-amine is sourced from PubChem (CID 139894761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).