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

C17H20FN — CID 115502487

IUPACN-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1ccc(-c2cccc(CNC(C)C)c2)cc1F
InChIInChI=1S/C17H20FN/c1-12(2)19-11-14-5-4-6-15(9-14)16-8-7-13(3)17(18)10-16/h4-10,12,19H,11H2,1-3H3
InChIKeyRNVAIXNXZDOLEN-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.30
Rot. Bonds4

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

N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine (PubChem CID 115502487) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
PubChem CID115502487
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1ccc(-c2cccc(CNC(C)C)c2)cc1F
InChIInChI=1S/C17H20FN/c1-12(2)19-11-14-5-4-6-15(9-14)16-8-7-13(3)17(18)10-16/h4-10,12,19H,11H2,1-3H3
InChIKeyRNVAIXNXZDOLEN-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732899
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 107514100
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 113324415
N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 61034457
N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911620
N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine
CID 113297313
N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732388
N-[[3-(2,3-difluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408883
N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63647039
N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105410097
N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine
CID 105408477
N-[[3-(2-fluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408608

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine (CID 115502487) is N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine is Cc1ccc(-c2cccc(CNC(C)C)c2)cc1F.
What is the InChIKey of N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is RNVAIXNXZDOLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-12(2)19-11-14-5-4-6-15(9-14)16-8-7-13(3)17(18)10-16/h4-10,12,19H,11H2,1-3H3.
What are the key properties of N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine?
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 115502487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).