1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine

C19H24FN — CID 63454016

IUPAC1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(C(C)C)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H24FN/c1-4-19(17-9-11-18(20)12-10-17)21-13-15-5-7-16(8-6-15)14(2)3/h5-12,14,19,21H,4,13H2,1-3H3
InChIKeyOBVDFQNMYCABEP-UHFFFAOYSA-N
MW285.41 g/mol
LogP5.19
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine

1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine (PubChem CID 63454016) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
PubChem CID63454016
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC Name1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(C(C)C)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H24FN/c1-4-19(17-9-11-18(20)12-10-17)21-13-15-5-7-16(8-6-15)14(2)3/h5-12,14,19,21H,4,13H2,1-3H3
InChIKeyOBVDFQNMYCABEP-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.41
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 43194840
(1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
CID 28970329
N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 4723370
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide
CID 43567792
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
2-[1-(4-fluorophenyl)propylamino]ethanol
CID 43151168
1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43310046

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine (CID 63454016) is 1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine is CCC(NCc1ccc(C(C)C)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine?
The InChIKey is OBVDFQNMYCABEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-4-19(17-9-11-18(20)12-10-17)21-13-15-5-7-16(8-6-15)14(2)3/h5-12,14,19,21H,4,13H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine?
1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63454016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).