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

C16H26ClNO — CID 112591597

IUPAC2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILESCCNCC(CCOC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C16H26ClNO/c1-5-18-12-13(10-11-19-16(2,3)4)14-8-6-7-9-15(14)17/h6-9,13,18H,5,10-12H2,1-4H3
InChIKeyOLQLTPQKJLUXEQ-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.24
Rot. Bonds7

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

2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine (PubChem CID 112591597) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
PubChem CID112591597
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILESCCNCC(CCOC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C16H26ClNO/c1-5-18-12-13(10-11-19-16(2,3)4)14-8-6-7-9-15(14)17/h6-9,13,18H,5,10-12H2,1-4H3
InChIKeyOLQLTPQKJLUXEQ-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 79449274
N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591568
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 79436038
2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine
CID 102940598
2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457186
2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 103036937
2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 79449341
2-(2-chlorophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79448818
1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene
CID 112589307
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436036
2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine
CID 79436045
N-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine
CID 115942620

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine (CID 112591597) is 2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine is CCNCC(CCOC(C)(C)C)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The InChIKey is OLQLTPQKJLUXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-5-18-12-13(10-11-19-16(2,3)4)14-8-6-7-9-15(14)17/h6-9,13,18H,5,10-12H2,1-4H3.
What are the key properties of 2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine is sourced from PubChem (CID 112591597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).