4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine

C11H24ClNO2 — CID 106152372

IUPAC4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine
SMILESCOCC(CCCl)NCCOC(C)(C)C
InChIInChI=1S/C11H24ClNO2/c1-11(2,3)15-8-7-13-10(5-6-12)9-14-4/h10,13H,5-9H2,1-4H3
InChIKeyWVUNNKGVMSGRAM-UHFFFAOYSA-N
MW237.77 g/mol
LogP2.04
Rot. Bonds8

About 4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine

4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine (PubChem CID 106152372) has the molecular formula C11H24ClNO2 and a molecular weight of 237.77 g/mol. Its IUPAC name is 4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine.

Molecular Properties

Compound Name4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine
PubChem CID106152372
Molecular FormulaC11H24ClNO2
Molecular Weight237.77 g/mol
Exact Mass237.15
IUPAC Name4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine
SMILESCOCC(CCCl)NCCOC(C)(C)C
InChIInChI=1S/C11H24ClNO2/c1-11(2,3)15-8-7-13-10(5-6-12)9-14-4/h10,13H,5-9H2,1-4H3
InChIKeyWVUNNKGVMSGRAM-UHFFFAOYSA-N
XLogP2.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 52.04
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

4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine
CID 106152336
N-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine
CID 106180770
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
1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine
CID 106354187
4-chloro-1-methoxy-N-(2-thiophen-3-ylethyl)butan-2-amine
CID 106152449
N-benzyl-4-chloro-1-methoxybutan-2-amine
CID 106152824
N-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 107506939
1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine
CID 112590468
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentan-2-amine
CID 62597643
1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
CID 115712453
1-methoxy-N-(4-methoxybutyl)pentan-2-amine
CID 104647445

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine?
The IUPAC name of 4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine (CID 106152372) is 4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine.
What is the SMILES notation for 4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine?
The canonical SMILES for 4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine is COCC(CCCl)NCCOC(C)(C)C.
What is the InChIKey of 4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine?
The InChIKey is WVUNNKGVMSGRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2/c1-11(2,3)15-8-7-13-10(5-6-12)9-14-4/h10,13H,5-9H2,1-4H3.
What are the key properties of 4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine?
4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine has a molecular weight of 237.77 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine is sourced from PubChem (CID 106152372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).