1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine

C16H18FN — CID 62788866

IUPAC1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(C)(N)c2cc(F)ccc2C)c1
InChIInChI=1S/C16H18FN/c1-11-5-4-6-13(9-11)16(3,18)15-10-14(17)8-7-12(15)2/h4-10H,18H2,1-3H3
InChIKeyPBFPEQIABQPEFN-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.66
Rot. Bonds2

About 1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine

1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine (PubChem CID 62788866) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine
PubChem CID62788866
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(C)(N)c2cc(F)ccc2C)c1
InChIInChI=1S/C16H18FN/c1-11-5-4-6-13(9-11)16(3,18)15-10-14(17)8-7-12(15)2/h4-10H,18H2,1-3H3
InChIKeyPBFPEQIABQPEFN-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine
CID 54933232
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 55120933
1-(2,5-difluorophenyl)-1-(3-methylphenyl)ethanol
CID 62801933
1-(3-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54919053
1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024
1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine
CID 62802677
1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine
CID 79595390
1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 79991084
1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine
CID 105452057
2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene
CID 143135341
1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine
CID 55136169
ethane;1-fluoro-3-methylbenzene
CID 123790085

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine (CID 62788866) is 1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine is Cc1cccc(C(C)(N)c2cc(F)ccc2C)c1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine?
The InChIKey is PBFPEQIABQPEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-5-4-6-13(9-11)16(3,18)15-10-14(17)8-7-12(15)2/h4-10H,18H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine?
1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine has a molecular weight of 243.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 62788866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).