N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine

C17H19ClFN — CID 115796556

IUPACN-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)c1c(F)cccc1Cl
InChIInChI=1S/C17H19ClFN/c1-4-20-17(13-9-11(2)8-12(3)10-13)16-14(18)6-5-7-15(16)19/h5-10,17,20H,4H2,1-3H3
InChIKeyRVDYGBKKODNTOQ-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.79
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine

N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine (PubChem CID 115796556) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
PubChem CID115796556
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)c1c(F)cccc1Cl
InChIInChI=1S/C17H19ClFN/c1-4-20-17(13-9-11(2)8-12(3)10-13)16-14(18)6-5-7-15(16)19/h5-10,17,20H,4H2,1-3H3
InChIKeyRVDYGBKKODNTOQ-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 79522408
N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489376
N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine
CID 79747189
N-[(2,6-difluoro-3-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796796
N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63501905
N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81155515
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488909
N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 107945874
N-[(2-chloro-6-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61331379
N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881773
N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 64714724
1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115796964

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine (CID 115796556) is N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine is CCNC(c1cc(C)cc(C)c1)c1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine?
The InChIKey is RVDYGBKKODNTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-4-20-17(13-9-11(2)8-12(3)10-13)16-14(18)6-5-7-15(16)19/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine?
N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine has a molecular weight of 291.80 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 115796556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).