N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine

C9H20ClNO2 — CID 104649724

IUPACN-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine
SMILESCOCCCCNCCOCCCl
InChIInChI=1S/C9H20ClNO2/c1-12-7-3-2-5-11-6-9-13-8-4-10/h11H,2-9H2,1H3
InChIKeyLUOLWTJKGUEWMI-UHFFFAOYSA-N
MW209.72 g/mol
LogP1.26
Rot. Bonds10

About N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine

N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine (PubChem CID 104649724) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine
PubChem CID104649724
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine
SMILESCOCCCCNCCOCCCl
InChIInChI=1S/C9H20ClNO2/c1-12-7-3-2-5-11-6-9-13-8-4-10/h11H,2-9H2,1H3
InChIKeyLUOLWTJKGUEWMI-UHFFFAOYSA-N
XLogP1.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 106306027
6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine
CID 114008238
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104567151
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N-(2-hexoxyethyl)-3-methoxypropan-1-amine
CID 62599714
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine
CID 106306173
2-[2-(4-methoxybutoxy)ethylamino]ethanol
CID 150215705
3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 63685704
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
N-[3-(2-chloroethoxy)propyl]pentan-1-amine
CID 106306037
N-(2-methoxyethyl)-4-(4-methylpentoxy)butan-1-amine
CID 62597263

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine (CID 104649724) is N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine is COCCCCNCCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine?
The InChIKey is LUOLWTJKGUEWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO2/c1-12-7-3-2-5-11-6-9-13-8-4-10/h11H,2-9H2,1H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine?
N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine has a molecular weight of 209.72 g/mol, XLogP of 1.26, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine is sourced from PubChem (CID 104649724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).