N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine

C20H20FN — CID 143626004

IUPACN-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
SMILESCc1ccc(F)c(CNC(C)c2cccc3ccccc23)c1
InChIInChI=1S/C20H20FN/c1-14-10-11-20(21)17(12-14)13-22-15(2)18-9-5-7-16-6-3-4-8-19(16)18/h3-12,15,22H,13H2,1-2H3
InChIKeyFTFUYZYBYVRSKE-UHFFFAOYSA-N
MW293.39 g/mol
LogP5.14
Rot. Bonds4

About N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine

N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine (PubChem CID 143626004) has the molecular formula C20H20FN and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
PubChem CID143626004
Molecular FormulaC20H20FN
Molecular Weight293.39 g/mol
Exact Mass293.16
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
SMILESCc1ccc(F)c(CNC(C)c2cccc3ccccc23)c1
InChIInChI=1S/C20H20FN/c1-14-10-11-20(21)17(12-14)13-22-15(2)18-9-5-7-16-6-3-4-8-19(16)18/h3-12,15,22H,13H2,1-2H3
InChIKeyFTFUYZYBYVRSKE-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.39
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880955
(1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880970
(1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104979999
N-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 68766120
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
N-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 115556557
N-[(2-fluoro-5-methylphenyl)methyl]-5-methylhexan-2-amine
CID 113237519
(1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 103991886
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225422
[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methanol
CID 102221604
(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624665
(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624473

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine (CID 143626004) is N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine is Cc1ccc(F)c(CNC(C)c2cccc3ccccc23)c1.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is FTFUYZYBYVRSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN/c1-14-10-11-20(21)17(12-14)13-22-15(2)18-9-5-7-16-6-3-4-8-19(16)18/h3-12,15,22H,13H2,1-2H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine?
N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 293.39 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 143626004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).