N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine

C19H24FN — CID 63424500

IUPACN-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(F)c(-c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H24FN/c1-13(2)16-6-8-17(9-7-16)18-11-15(5-10-19(18)20)12-21-14(3)4/h5-11,13-14,21H,12H2,1-4H3
InChIKeyWQAPAQNCTAYNDX-UHFFFAOYSA-N
MW285.41 g/mol
LogP5.11
Rot. Bonds5

About N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine

N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine (PubChem CID 63424500) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine
PubChem CID63424500
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC NameN-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(F)c(-c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H24FN/c1-13(2)16-6-8-17(9-7-16)18-11-15(5-10-19(18)20)12-21-14(3)4/h5-11,13-14,21H,12H2,1-4H3
InChIKeyWQAPAQNCTAYNDX-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.41
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61026035
N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911501
N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]propan-2-amine
CID 115503150
N-[[3-(2,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61033377
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428027
N-[[3-(2,4-dichlorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428074
N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732388
N-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine
CID 115504916
N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 106882253
N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911620
N-[[3-(2-fluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408608
1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine
CID 54911637

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine (CID 63424500) is N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(F)c(-c2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is WQAPAQNCTAYNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-13(2)16-6-8-17(9-7-16)18-11-15(5-10-19(18)20)12-21-14(3)4/h5-11,13-14,21H,12H2,1-4H3.
What are the key properties of N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine?
N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 285.41 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63424500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).