2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine

C18H21ClFN — CID 43484891

IUPAC2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(Cc2c(F)cccc2Cl)NC)cc1
InChIInChI=1S/C18H21ClFN/c1-3-5-13-8-10-14(11-9-13)18(21-2)12-15-16(19)6-4-7-17(15)20/h4,6-11,18,21H,3,5,12H2,1-2H3
InChIKeyVHQZXGOHMCHLGV-UHFFFAOYSA-N
MW305.82 g/mol
LogP4.93
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine

2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine (PubChem CID 43484891) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine
PubChem CID43484891
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(Cc2c(F)cccc2Cl)NC)cc1
InChIInChI=1S/C18H21ClFN/c1-3-5-13-8-10-14(11-9-13)18(21-2)12-15-16(19)6-4-7-17(15)20/h4,6-11,18,21H,3,5,12H2,1-2H3
InChIKeyVHQZXGOHMCHLGV-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.82
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol
CID 63410788
2-(2-chloro-6-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486472
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 43494761
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine
CID 103214727
2-(2-chloro-6-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503364
2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61079682
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 63419902
1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 63418484
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 107476331
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine
CID 81293136
2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 61080026

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine (CID 43484891) is 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(Cc2c(F)cccc2Cl)NC)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine?
The InChIKey is VHQZXGOHMCHLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-3-5-13-8-10-14(11-9-13)18(21-2)12-15-16(19)6-4-7-17(15)20/h4,6-11,18,21H,3,5,12H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine?
2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine has a molecular weight of 305.82 g/mol, XLogP of 4.93, 6 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-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 43484891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).