N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine

C18H22FN — CID 43095447

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine
SMILESCc1ccc(C)c(C(C)NC(C)c2cccc(F)c2)c1
InChIInChI=1S/C18H22FN/c1-12-8-9-13(2)18(10-12)15(4)20-14(3)16-6-5-7-17(19)11-16/h5-11,14-15,20H,1-4H3
InChIKeyMEMSCPLHSCEUIH-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.85
Rot. Bonds4

About N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine

N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 43095447) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine
PubChem CID43095447
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine
SMILESCc1ccc(C)c(C(C)NC(C)c2cccc(F)c2)c1
InChIInChI=1S/C18H22FN/c1-12-8-9-13(2)18(10-12)15(4)20-14(3)16-6-5-7-17(19)11-16/h5-11,14-15,20H,1-4H3
InChIKeyMEMSCPLHSCEUIH-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81352935
1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine
CID 43770232
(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81354278
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine
CID 81344166
(1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81367633
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide
CID 841056
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 81364729
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 81365540
(1R)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81350639
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine (CID 43095447) is N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine is Cc1ccc(C)c(C(C)NC(C)c2cccc(F)c2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is MEMSCPLHSCEUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-12-8-9-13(2)18(10-12)15(4)20-14(3)16-6-5-7-17(19)11-16/h5-11,14-15,20H,1-4H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine?
N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 43095447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).