1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine

C16H18FN — CID 43149151

IUPAC1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FN/c1-11-3-6-14(9-12(11)2)16(18)10-13-4-7-15(17)8-5-13/h3-9,16H,10,18H2,1-2H3
InChIKeyLBYRSXKVVHECJH-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.69
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine

1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine (PubChem CID 43149151) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
PubChem CID43149151
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FN/c1-11-3-6-14(9-12(11)2)16(18)10-13-4-7-15(17)8-5-13/h3-9,16H,10,18H2,1-2H3
InChIKeyLBYRSXKVVHECJH-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 65298904
1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62115577
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 62595747
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55026181
1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43198585
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115864878
1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine
CID 61079569
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82814538
2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine
CID 105055258
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373640
1-(3-bromo-5-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 104853137

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine (CID 43149151) is 1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine is Cc1ccc(C(N)Cc2ccc(F)cc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is LBYRSXKVVHECJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-3-6-14(9-12(11)2)16(18)10-13-4-7-15(17)8-5-13/h3-9,16H,10,18H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine has a molecular weight of 243.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 43149151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).