3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine

C11H24ClNO3 — CID 106306027

IUPAC3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
SMILESCOCCCOCCNCCCOCCCl
InChIInChI=1S/C11H24ClNO3/c1-14-7-3-9-16-11-6-13-5-2-8-15-10-4-12/h13H,2-11H2,1H3
InChIKeyNRZVHAMYBLPIBC-UHFFFAOYSA-N
MW253.77 g/mol
LogP1.27
Rot. Bonds13

About 3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine

3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine (PubChem CID 106306027) has the molecular formula C11H24ClNO3 and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
PubChem CID106306027
Molecular FormulaC11H24ClNO3
Molecular Weight253.77 g/mol
Exact Mass253.14
IUPAC Name3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
SMILESCOCCCOCCNCCCOCCCl
InChIInChI=1S/C11H24ClNO3/c1-14-7-3-9-16-11-6-13-5-2-8-15-10-4-12/h13H,2-11H2,1H3
InChIKeyNRZVHAMYBLPIBC-UHFFFAOYSA-N
XLogP1.27
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine
CID 104649724
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine
CID 106306173
3-(2-chloroethoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 106306021
N-(2-hexoxyethyl)-3-methoxypropan-1-amine
CID 62599714
6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine
CID 114008238
3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 63685704
N-[3-(2-chloroethoxy)propyl]pentan-1-amine
CID 106306037
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine
CID 103184074
6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine
CID 107844873
N-ethyl-3-(3-methoxypropoxy)propan-1-amine
CID 62442625

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine?
The IUPAC name of 3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine (CID 106306027) is 3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine is COCCCOCCNCCCOCCCl.
What is the InChIKey of 3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine?
The InChIKey is NRZVHAMYBLPIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO3/c1-14-7-3-9-16-11-6-13-5-2-8-15-10-4-12/h13H,2-11H2,1H3.
What are the key properties of 3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine?
3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 1.27, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine is sourced from PubChem (CID 106306027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).