3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine

C10H22ClNO2 — CID 103413068

IUPAC3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine
SMILESCOCCOCCCNCC(C)CCl
InChIInChI=1S/C10H22ClNO2/c1-10(8-11)9-12-4-3-5-14-7-6-13-2/h10,12H,3-9H2,1-2H3
InChIKeyIHXQNZYGSANULL-UHFFFAOYSA-N
MW223.74 g/mol
LogP1.50
Rot. Bonds10

About 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine

3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine (PubChem CID 103413068) has the molecular formula C10H22ClNO2 and a molecular weight of 223.74 g/mol. Its IUPAC name is 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine
PubChem CID103413068
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Name3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine
SMILESCOCCOCCCNCC(C)CCl
InChIInChI=1S/C10H22ClNO2/c1-10(8-11)9-12-4-3-5-14-7-6-13-2/h10,12H,3-9H2,1-2H3
InChIKeyIHXQNZYGSANULL-UHFFFAOYSA-N
XLogP1.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 51.50
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

N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
CID 28720680
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
2-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 103409669
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209
methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate
CID 103491945
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine
CID 104562209
1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane
CID 104561148
6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
CID 103181280
3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol
CID 106286221
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103409489
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine?
The IUPAC name of 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine (CID 103413068) is 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine is COCCOCCCNCC(C)CCl.
What is the InChIKey of 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine?
The InChIKey is IHXQNZYGSANULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2/c1-10(8-11)9-12-4-3-5-14-7-6-13-2/h10,12H,3-9H2,1-2H3.
What are the key properties of 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine?
3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine has a molecular weight of 223.74 g/mol, XLogP of 1.50, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103413068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).