N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine

C11H24ClNO2 — CID 103413010

IUPACN-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine
SMILESCOCCOCCCN(CCCl)C(C)C
InChIInChI=1S/C11H24ClNO2/c1-11(2)13(7-5-12)6-4-8-15-10-9-14-3/h11H,4-10H2,1-3H3
InChIKeyPGKXVGQNLQDXGE-UHFFFAOYSA-N
MW237.77 g/mol
LogP1.99
Rot. Bonds10

About N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine

N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine (PubChem CID 103413010) has the molecular formula C11H24ClNO2 and a molecular weight of 237.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine
PubChem CID103413010
Molecular FormulaC11H24ClNO2
Molecular Weight237.77 g/mol
Exact Mass237.15
IUPAC NameN-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine
SMILESCOCCOCCCN(CCCl)C(C)C
InChIInChI=1S/C11H24ClNO2/c1-11(2)13(7-5-12)6-4-8-15-10-9-14-3/h11H,4-10H2,1-3H3
InChIKeyPGKXVGQNLQDXGE-UHFFFAOYSA-N
XLogP1.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 51.99
H-Bond Donors ≤ 50
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

N-(2-chloroethyl)-N-[3-(2-methoxyethoxy)propyl]pentan-3-amine
CID 103413020
N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine
CID 103409174
3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 63389217
3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
CID 82960772
N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide
CID 103409985
N-(2-chloroethyl)-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
CID 103412998
N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide
CID 103410003
N-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine
CID 63387675
3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 103411120
3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine
CID 164556993
N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine
CID 103183958

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine (CID 103413010) is N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine is COCCOCCCN(CCCl)C(C)C.
What is the InChIKey of N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is PGKXVGQNLQDXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2/c1-11(2)13(7-5-12)6-4-8-15-10-9-14-3/h11H,4-10H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine?
N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 237.77 g/mol, XLogP of 1.99, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103413010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).