N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine

C16H18FN — CID 113324415

IUPACN-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(-c2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H18FN/c1-3-18-11-13-5-4-6-14(9-13)15-8-7-12(2)16(17)10-15/h4-10,18H,3,11H2,1-2H3
InChIKeyCBSHOXSOQOAGNT-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.91
Rot. Bonds4

About N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine

N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine (PubChem CID 113324415) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine
PubChem CID113324415
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC NameN-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(-c2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H18FN/c1-3-18-11-13-5-4-6-14(9-13)15-8-7-12(2)16(17)10-15/h4-10,18H,3,11H2,1-2H3
InChIKeyCBSHOXSOQOAGNT-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(3,5-difluorophenyl)phenyl]methyl]ethanamine
CID 54911880
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 107514099
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502487
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine
CID 63989003
N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine
CID 63157691
N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine
CID 62963734
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine
CID 81447039
2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 59933450
N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine
CID 107169882
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylmethanamine
CID 61034041
N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine
CID 61239496

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine (CID 113324415) is N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine is CCNCc1cccc(-c2ccc(C)c(F)c2)c1.
What is the InChIKey of N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine?
The InChIKey is CBSHOXSOQOAGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-3-18-11-13-5-4-6-14(9-13)15-8-7-12(2)16(17)10-15/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine?
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine has a molecular weight of 243.32 g/mol, XLogP of 3.91, 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]ethanamine is sourced from PubChem (CID 113324415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).