N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine

C17H20FNO — CID 115967848

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCc2cc(F)ccc2C)cc1
InChIInChI=1S/C17H20FNO/c1-13-3-6-16(18)11-15(13)12-19-10-9-14-4-7-17(20-2)8-5-14/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyVYASRLUYBQALAS-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.48
Rot. Bonds6

About N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine

N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine (PubChem CID 115967848) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
PubChem CID115967848
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCc2cc(F)ccc2C)cc1
InChIInChI=1S/C17H20FNO/c1-13-3-6-16(18)11-15(13)12-19-10-9-14-4-7-17(20-2)8-5-14/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyVYASRLUYBQALAS-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43220553
1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115967968
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 4719716
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
2-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 2063744
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide
CID 75531511
4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol
CID 61239059
3-[[2-(4-methoxyphenyl)ethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 18525142
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 4718599

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine (CID 115967848) is N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine is COc1ccc(CCNCc2cc(F)ccc2C)cc1.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine?
The InChIKey is VYASRLUYBQALAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13-3-6-16(18)11-15(13)12-19-10-9-14-4-7-17(20-2)8-5-14/h3-8,11,19H,9-10,12H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine?
N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 115967848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).