N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline

C16H18FN — CID 28542068

IUPACN-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NCc1ccc(F)cc1
InChIInChI=1S/C16H18FN/c1-12(2)15-5-3-4-6-16(15)18-11-13-7-9-14(17)10-8-13/h3-10,12,18H,11H2,1-2H3
InChIKeyVBXOYNSAHNUDCN-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.56
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline

N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline (PubChem CID 28542068) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline
PubChem CID28542068
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NCc1ccc(F)cc1
InChIInChI=1S/C16H18FN/c1-12(2)15-5-3-4-6-16(15)18-11-13-7-9-14(17)10-8-13/h3-10,12,18H,11H2,1-2H3
InChIKeyVBXOYNSAHNUDCN-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-5-fluorophenyl)methyl]-2-propan-2-ylaniline
CID 114452114
N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide
CID 109024992
N-[(4-hexoxyphenyl)methyl]-2-propan-2-ylaniline
CID 54800428
N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754
N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
CID 54806994
N-(1,2-oxazol-4-ylmethyl)-2-propan-2-ylaniline
CID 60869621
1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109054696
N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
CID 40632168
2-(1-chloroethyl)-N-[(4-iodophenyl)methyl]aniline
CID 65489958
1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol
CID 54962584
2-methyl-1-(2-propan-2-ylanilino)propan-2-ol
CID 39241882
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline
CID 43804020

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline (CID 28542068) is N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline is CC(C)c1ccccc1NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline?
The InChIKey is VBXOYNSAHNUDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-12(2)15-5-3-4-6-16(15)18-11-13-7-9-14(17)10-8-13/h3-10,12,18H,11H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline?
N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline has a molecular weight of 243.33 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline is sourced from PubChem (CID 28542068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).