4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine

C14H21ClFNO — CID 64665475

IUPAC4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
SMILESCOCCNCC(C)CCc1c(F)cccc1Cl
InChIInChI=1S/C14H21ClFNO/c1-11(10-17-8-9-18-2)6-7-12-13(15)4-3-5-14(12)16/h3-5,11,17H,6-10H2,1-2H3
InChIKeyVRHSIRRDJCHMNP-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.28
Rot. Bonds8

About 4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine

4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine (PubChem CID 64665475) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
PubChem CID64665475
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
SMILESCOCCNCC(C)CCc1c(F)cccc1Cl
InChIInChI=1S/C14H21ClFNO/c1-11(10-17-8-9-18-2)6-7-12-13(15)4-3-5-14(12)16/h3-5,11,17H,6-10H2,1-2H3
InChIKeyVRHSIRRDJCHMNP-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.28
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

4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64666080
1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62774538
2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 66241764
3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 116811094
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine
CID 65024044
2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 66438264
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
N-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981738
4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64665679
2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112683507
3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 62531287
2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine
CID 83107385

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine (CID 64665475) is 4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine is COCCNCC(C)CCc1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine?
The InChIKey is VRHSIRRDJCHMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-11(10-17-8-9-18-2)6-7-12-13(15)4-3-5-14(12)16/h3-5,11,17H,6-10H2,1-2H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine?
4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine has a molecular weight of 273.78 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine is sourced from PubChem (CID 64665475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).