2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine

C15H23ClFNO — CID 103041086

IUPAC2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
SMILESCCCC(CNCCOC)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H23ClFNO/c1-3-4-13(11-18-7-8-19-2)9-12-5-6-15(17)14(16)10-12/h5-6,10,13,18H,3-4,7-9,11H2,1-2H3
InChIKeyLAOLFFWVIHOKHY-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.67
Rot. Bonds9

About 2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine

2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine (PubChem CID 103041086) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
PubChem CID103041086
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
SMILESCCCC(CNCCOC)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H23ClFNO/c1-3-4-13(11-18-7-8-19-2)9-12-5-6-15(17)14(16)10-12/h5-6,10,13,18H,3-4,7-9,11H2,1-2H3
InChIKeyLAOLFFWVIHOKHY-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.67
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-[1-(3-Chloro-4-fluorophenyl)-2-methoxyethyl]piperidine;hydrochloride
CID 73347528
3-(3-chloro-4-fluorophenyl)-2,3,4,7-tetrahydro-1H-azepine
CID 71541195
1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103029548
1-(3-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103036014
1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103036015
3-(3-chloro-4-fluorophenyl)-N-propylpropan-1-amine
CID 103040975
N-[3-(3-chloro-4-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 103040976
2-benzyl-3-(3-chloro-4-fluorophenyl)-N-methylpropan-1-amine
CID 103040979
2-benzyl-3-(3-chloro-4-fluorophenyl)-N-ethylpropan-1-amine
CID 103040980
3-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 103040981
3-(3-chloro-4-fluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 103040982
3-(3-chloro-4-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 103040983

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine (CID 103041086) is 2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine is CCCC(CNCCOC)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine?
The InChIKey is LAOLFFWVIHOKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-3-4-13(11-18-7-8-19-2)9-12-5-6-15(17)14(16)10-12/h5-6,10,13,18H,3-4,7-9,11H2,1-2H3.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine?
2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine has a molecular weight of 287.81 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine is sourced from PubChem (CID 103041086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).