N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine

C18H22FN — CID 81477799

IUPACN-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)c1cccc(C)c1F
InChIInChI=1S/C18H22FN/c1-4-20-17(12-15-10-8-13(2)9-11-15)16-7-5-6-14(3)18(16)19/h5-11,17,20H,4,12H2,1-3H3
InChIKeyPBAIHWHCGDHNTD-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.34
Rot. Bonds5

About N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine

N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine (PubChem CID 81477799) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine
PubChem CID81477799
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)c1cccc(C)c1F
InChIInChI=1S/C18H22FN/c1-4-20-17(12-15-10-8-13(2)9-11-15)16-7-5-6-14(3)18(16)19/h5-11,17,20H,4,12H2,1-3H3
InChIKeyPBAIHWHCGDHNTD-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-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 107513135
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377456
1-(2-ethoxyphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61066318
2-(4-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60820542
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015235
N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine
CID 105028931
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 81477648
N-ethyl-1-(2-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 55025976
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528287
2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412865
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844233
3-[2-(ethylamino)-2-(2-fluoro-3-methylphenyl)ethyl]pyridin-2-amine
CID 107111565

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine (CID 81477799) is N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine is CCNC(Cc1ccc(C)cc1)c1cccc(C)c1F.
What is the InChIKey of N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine?
The InChIKey is PBAIHWHCGDHNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-20-17(12-15-10-8-13(2)9-11-15)16-7-5-6-14(3)18(16)19/h5-11,17,20H,4,12H2,1-3H3.
What are the key properties of N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine?
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-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-3-methylphenyl)-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81477799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).