N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine

C18H22FN — CID 63416854

IUPACN-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1cc(C)ccc1F
InChIInChI=1S/C18H22FN/c1-4-20-18(12-15-8-6-5-7-14(15)3)16-11-13(2)9-10-17(16)19/h5-11,18,20H,4,12H2,1-3H3
InChIKeySBLMUCZAKRMWNH-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.34
Rot. Bonds5

About N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine

N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine (PubChem CID 63416854) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine
PubChem CID63416854
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1cc(C)ccc1F
InChIInChI=1S/C18H22FN/c1-4-20-18(12-15-8-6-5-7-14(15)3)16-11-13(2)9-10-17(16)19/h5-11,18,20H,4,12H2,1-3H3
InChIKeySBLMUCZAKRMWNH-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43489975
2-(2,4-dichlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412980
N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 60819420
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methylphenyl)ethanamine
CID 106881412
2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412865
N-[1-(5-bromo-2-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528282
1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63527546
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 107988840
2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine
CID 115787263
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 115983773
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105020475
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867876

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine (CID 63416854) is N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine is CCNC(Cc1ccccc1C)c1cc(C)ccc1F.
What is the InChIKey of N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine?
The InChIKey is SBLMUCZAKRMWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-20-18(12-15-8-6-5-7-14(15)3)16-11-13(2)9-10-17(16)19/h5-11,18,20H,4,12H2,1-3H3.
What are the key properties of N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine?
N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 63416854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).