1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine

C18H22FN — CID 63008352

IUPAC1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
SMILESCc1ccc(C(C)NC(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FN/c1-13-4-8-17(9-5-13)15(3)20-14(2)12-16-6-10-18(19)11-7-16/h4-11,14-15,20H,12H2,1-3H3
InChIKeyQGSDKQNHXCCMJQ-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.42
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine

1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine (PubChem CID 63008352) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
PubChem CID63008352
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
SMILESCc1ccc(C(C)NC(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FN/c1-13-4-8-17(9-5-13)15(3)20-14(2)12-16-6-10-18(19)11-7-16/h4-11,14-15,20H,12H2,1-3H3
InChIKeyQGSDKQNHXCCMJQ-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 43695926
4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 115494469
1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
CID 104979728
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 63008182
N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 63463078
1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
1-(4-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 63008178
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43096156
1-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 114828278
1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine
CID 104979816
(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 93082887

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine (CID 63008352) is 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine is Cc1ccc(C(C)NC(C)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine?
The InChIKey is QGSDKQNHXCCMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13-4-8-17(9-5-13)15(3)20-14(2)12-16-6-10-18(19)11-7-16/h4-11,14-15,20H,12H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine?
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 63008352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).