N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine

C18H21ClFN — CID 81454708

IUPACN-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1Cl)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H21ClFN/c1-5-21-18(14-7-6-8-15(20)17(14)19)16-12(3)9-11(2)10-13(16)4/h6-10,18,21H,5H2,1-4H3
InChIKeyGDMHWNVNCPXPSC-UHFFFAOYSA-N
MW305.82 g/mol
LogP5.10
Rot. Bonds4

About N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine

N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 81454708) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID81454708
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC NameN-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1Cl)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H21ClFN/c1-5-21-18(14-7-6-8-15(20)17(14)19)16-12(3)9-11(2)10-13(16)4/h6-10,18,21H,5H2,1-4H3
InChIKeyGDMHWNVNCPXPSC-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.82
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-3-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859759
N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827914
N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491156
N-[(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 115801146
N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 63508460
N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881773
N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106882073
N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491174
N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 81454466
N-[(3-chloro-2-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878168
N-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878377
N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859932

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine (CID 81454708) is N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine is CCNC(c1cccc(F)c1Cl)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is GDMHWNVNCPXPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-5-21-18(14-7-6-8-15(20)17(14)19)16-12(3)9-11(2)10-13(16)4/h6-10,18,21H,5H2,1-4H3.
What are the key properties of N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 305.82 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 81454708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).