4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine

C10H22ClNO3 — CID 106152336

IUPAC4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine
SMILESCOCCOCCNC(CCCl)COC
InChIInChI=1S/C10H22ClNO3/c1-13-7-8-15-6-5-12-10(3-4-11)9-14-2/h10,12H,3-9H2,1-2H3
InChIKeyHHIYJJXIXXQQRH-UHFFFAOYSA-N
MW239.74 g/mol
LogP0.88
Rot. Bonds11

About 4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine

4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine (PubChem CID 106152336) has the molecular formula C10H22ClNO3 and a molecular weight of 239.74 g/mol. Its IUPAC name is 4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine.

Molecular Properties

Compound Name4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine
PubChem CID106152336
Molecular FormulaC10H22ClNO3
Molecular Weight239.74 g/mol
Exact Mass239.13
IUPAC Name4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine
SMILESCOCCOCCNC(CCCl)COC
InChIInChI=1S/C10H22ClNO3/c1-13-7-8-15-6-5-12-10(3-4-11)9-14-2/h10,12H,3-9H2,1-2H3
InChIKeyHHIYJJXIXXQQRH-UHFFFAOYSA-N
XLogP0.88
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.74
LogP ≤ 50.88
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

1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
CID 115712453
4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine
CID 106152372
5-methoxy-4-N-[2-(2-methoxyethoxy)ethyl]pentane-1,4-diamine
CID 103389661
1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine
CID 106354187
4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
CID 103184040
5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine
CID 103390928
N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104567151
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol
CID 104560529
2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263
1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine
CID 106452067
4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 106152704
4-chloro-1-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 114150757

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine?
The IUPAC name of 4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine (CID 106152336) is 4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine.
What is the SMILES notation for 4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine?
The canonical SMILES for 4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine is COCCOCCNC(CCCl)COC.
What is the InChIKey of 4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine?
The InChIKey is HHIYJJXIXXQQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO3/c1-13-7-8-15-6-5-12-10(3-4-11)9-14-2/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine?
4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine has a molecular weight of 239.74 g/mol, XLogP of 0.88, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine is sourced from PubChem (CID 106152336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).