2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine

C15H23ClFN — CID 63516841

IUPAC2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNC)c1c(F)cccc1Cl
InChIInChI=1S/C15H23ClFN/c1-4-9-15(10-5-2,11-18-3)14-12(16)7-6-8-13(14)17/h6-8,18H,4-5,9-11H2,1-3H3
InChIKeyAXZXVSNKVAHBEO-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.54
Rot. Bonds7

About 2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine

2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine (PubChem CID 63516841) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine
PubChem CID63516841
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNC)c1c(F)cccc1Cl
InChIInChI=1S/C15H23ClFN/c1-4-9-15(10-5-2,11-18-3)14-12(16)7-6-8-13(14)17/h6-8,18H,4-5,9-11H2,1-3H3
InChIKeyAXZXVSNKVAHBEO-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine
CID 63515341
2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63517002
2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 62596396
4-(2,6-difluorophenyl)heptan-4-ol
CID 114865715
2-ethyl-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 62596055
3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol
CID 82471989
2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 82805898
2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine
CID 83107385
2-[(2-chloro-6-fluorophenyl)methyl]-2-propylpropane-1,3-diol
CID 79450730
2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 63507037
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63515522

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine (CID 63516841) is 2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine is CCCC(CCC)(CNC)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine?
The InChIKey is AXZXVSNKVAHBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-4-9-15(10-5-2,11-18-3)14-12(16)7-6-8-13(14)17/h6-8,18H,4-5,9-11H2,1-3H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine?
2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine has a molecular weight of 271.81 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine is sourced from PubChem (CID 63516841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).