N-chloro-1-ethoxypropan-1-amine

C5H12ClNO — CID 23599822

IUPACN-chloro-1-ethoxypropan-1-amine
SMILESCCOC(CC)NCl
InChIInChI=1S/C5H12ClNO/c1-3-5(7-6)8-4-2/h5,7H,3-4H2,1-2H3
InChIKeyZVXZCBLZTOMFRE-UHFFFAOYSA-N
MW137.61 g/mol
LogP1.50
Rot. Bonds4

About N-chloro-1-ethoxypropan-1-amine

N-chloro-1-ethoxypropan-1-amine (PubChem CID 23599822) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is N-chloro-1-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-chloro-1-ethoxypropan-1-amine
PubChem CID23599822
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC NameN-chloro-1-ethoxypropan-1-amine
SMILESCCOC(CC)NCl
InChIInChI=1S/C5H12ClNO/c1-3-5(7-6)8-4-2/h5,7H,3-4H2,1-2H3
InChIKeyZVXZCBLZTOMFRE-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-2-(methylamino)ethanol
CID 57110099
1-ethoxy-N-methylethane-1,2-diamine
CID 146966482
dichloromethoxyethane
CID 12643245
N-(diethoxymethyl)-1,1-diethoxymethanamine
CID 54336091
N-chloro-1-triethoxysilylpropan-1-amine
CID 175004161
6-[1-(4-chlorophenyl)ethenyl]-N-(1-ethoxypropyl)-3-ethyl-2-methylaniline
CID 70393158
1-bromo-1-ethoxypropane
CID 21478527
CID 58520605
CID 58520605
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
1,1-diethoxyethane
CID 7765
2,2-diethoxy-N-[1-(2,3,4-trichlorophenyl)ethyl]ethanamine
CID 79548559
chlorodiethoxymethylsilane
CID 18330713

Frequently Asked Questions

What is the IUPAC name of N-chloro-1-ethoxypropan-1-amine?
The IUPAC name of N-chloro-1-ethoxypropan-1-amine (CID 23599822) is N-chloro-1-ethoxypropan-1-amine.
What is the SMILES notation for N-chloro-1-ethoxypropan-1-amine?
The canonical SMILES for N-chloro-1-ethoxypropan-1-amine is CCOC(CC)NCl.
What is the InChIKey of N-chloro-1-ethoxypropan-1-amine?
The InChIKey is ZVXZCBLZTOMFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO/c1-3-5(7-6)8-4-2/h5,7H,3-4H2,1-2H3.
What are the key properties of N-chloro-1-ethoxypropan-1-amine?
N-chloro-1-ethoxypropan-1-amine has a molecular weight of 137.61 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-ethoxypropan-1-amine is sourced from PubChem (CID 23599822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).