N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine

C17H20FNO2 — CID 60816952

IUPACN-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine
SMILESCOC(CNC(c1ccccc1)c1ccc(F)cc1)OC
InChIInChI=1S/C17H20FNO2/c1-20-16(21-2)12-19-17(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,16-17,19H,12H2,1-2H3
InChIKeyYDNZNFDEMAZEPX-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.12
Rot. Bonds7

About N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine

N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine (PubChem CID 60816952) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine
PubChem CID60816952
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine
SMILESCOC(CNC(c1ccccc1)c1ccc(F)cc1)OC
InChIInChI=1S/C17H20FNO2/c1-20-16(21-2)12-19-17(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,16-17,19H,12H2,1-2H3
InChIKeyYDNZNFDEMAZEPX-UHFFFAOYSA-N
XLogP3.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81347893
(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine
CID 93314160
2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine
CID 43185219
N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine
CID 115588694
3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide
CID 106171119
N-[(4-fluorophenyl)-phenylmethyl]-2-methoxyacetamide
CID 47161833
N-[(4-fluorophenyl)-phenylmethyl]-3-methylsulfanylbutan-1-amine
CID 115676736
2-[[(4-fluorophenyl)-phenylmethyl]amino]-3-methoxypropan-1-ol
CID 106187396
1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 61000493
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
N-benzhydryl-2-bromopropan-1-amine
CID 57148463
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine (CID 60816952) is N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine is COC(CNC(c1ccccc1)c1ccc(F)cc1)OC.
What is the InChIKey of N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine?
The InChIKey is YDNZNFDEMAZEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-20-16(21-2)12-19-17(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,16-17,19H,12H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine?
N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine is sourced from PubChem (CID 60816952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).