2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine

C16H26ClNO — CID 83139452

IUPAC2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
SMILESCOCCNCC(Cc1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C16H26ClNO/c1-16(2,3)14(12-18-9-10-19-4)11-13-5-7-15(17)8-6-13/h5-8,14,18H,9-12H2,1-4H3
InChIKeyOIQOWEYYGPLISH-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.78
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine

2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine (PubChem CID 83139452) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
PubChem CID83139452
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
SMILESCOCCNCC(Cc1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C16H26ClNO/c1-16(2,3)14(12-18-9-10-19-4)11-13-5-7-15(17)8-6-13/h5-8,14,18H,9-12H2,1-4H3
InChIKeyOIQOWEYYGPLISH-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984648
2-[(2,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83139642
2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 62720244
2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 62720263
N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine
CID 106323897
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83141541
2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83139258
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141
N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014785
1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol
CID 107889050
3-[(4-chlorophenyl)methoxy]-N-(2-methoxyethyl)propan-1-amine
CID 65130444
N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 83139010

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine (CID 83139452) is 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine is COCCNCC(Cc1ccc(Cl)cc1)C(C)(C)C.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The InChIKey is OIQOWEYYGPLISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-16(2,3)14(12-18-9-10-19-4)11-13-5-7-15(17)8-6-13/h5-8,14,18H,9-12H2,1-4H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 83139452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).