2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine

C14H21Cl2NO — CID 66241764

IUPAC2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
SMILESCOCCNCC(c1c(Cl)cccc1Cl)C(C)C
InChIInChI=1S/C14H21Cl2NO/c1-10(2)11(9-17-7-8-18-3)14-12(15)5-4-6-13(14)16/h4-6,10-11,17H,7-9H2,1-3H3
InChIKeyLXKICPLGXBCJBZ-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.97
Rot. Bonds7

About 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine

2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine (PubChem CID 66241764) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
PubChem CID66241764
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
SMILESCOCCNCC(c1c(Cl)cccc1Cl)C(C)C
InChIInChI=1S/C14H21Cl2NO/c1-10(2)11(9-17-7-8-18-3)14-12(15)5-4-6-13(14)16/h4-6,10-11,17H,7-9H2,1-3H3
InChIKeyLXKICPLGXBCJBZ-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.97
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-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 66438264
1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62774538
4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64665475
4-methoxy-N-(2-methoxyethyl)-3-methyl-2-phenylbutan-1-amine
CID 113473078
2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 79449341
2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 107309735
2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62598234
2-(2,3-dichlorophenyl)-N-(2-methoxyethyl)ethanamine
CID 62800794
2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine
CID 55088725
4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64666080
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
CID 112610577
3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 79340039

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine (CID 66241764) is 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine is COCCNCC(c1c(Cl)cccc1Cl)C(C)C.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The InChIKey is LXKICPLGXBCJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-10(2)11(9-17-7-8-18-3)14-12(15)5-4-6-13(14)16/h4-6,10-11,17H,7-9H2,1-3H3.
What are the key properties of 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine?
2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine has a molecular weight of 290.23 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine is sourced from PubChem (CID 66241764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).