N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine

C19H24FN — CID 63463078

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCc1ccc(C)c(C(C)NC(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H24FN/c1-13-5-6-14(2)19(11-13)16(4)21-15(3)12-17-7-9-18(20)10-8-17/h5-11,15-16,21H,12H2,1-4H3
InChIKeyPZFLCFWCZPAINR-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.72
Rot. Bonds5

About N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine

N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine (PubChem CID 63463078) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
PubChem CID63463078
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCc1ccc(C)c(C(C)NC(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H24FN/c1-13-5-6-14(2)19(11-13)16(4)21-15(3)12-17-7-9-18(20)10-8-17/h5-11,15-16,21H,12H2,1-4H3
InChIKeyPZFLCFWCZPAINR-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 63008352
1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43198585
(2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol
CID 103788966
2-[1-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]benzene-1,4-diol
CID 63010168
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 133178558
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 63008182
N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 43095447
N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine
CID 81375017
1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 43695926
1-(2,5-dimethylphenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62134587
N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline
CID 43097532
1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine
CID 104979816

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine (CID 63463078) is N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine is Cc1ccc(C)c(C(C)NC(C)Cc2ccc(F)cc2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is PZFLCFWCZPAINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-13-5-6-14(2)19(11-13)16(4)21-15(3)12-17-7-9-18(20)10-8-17/h5-11,15-16,21H,12H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine?
N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 285.41 g/mol, XLogP of 4.72, 5 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-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 63463078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).