N-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]oxymethyl]-1-phenylmethanamine

C18H22FNO2 — CID 123492460

IUPACN-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]oxymethyl]-1-phenylmethanamine
SMILESCOC(c1ccccc1F)C(C)OCNCc1ccccc1
InChIInChI=1S/C18H22FNO2/c1-14(18(21-2)16-10-6-7-11-17(16)19)22-13-20-12-15-8-4-3-5-9-15/h3-11,14,18,20H,12-13H2,1-2H3
InChIKeyBJBIXOCBDWUJAK-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.67
Rot. Bonds8

About N-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]oxymethyl]-1-phenylmethanamine

N-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]oxymethyl]-1-phenylmethanamine (PubChem CID 123492460) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]oxymethyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]oxymethyl]-1-phenylmethanamine
PubChem CID123492460
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC NameN-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]oxymethyl]-1-phenylmethanamine
SMILESCOC(c1ccccc1F)C(C)OCNCc1ccccc1
InChIInChI=1S/C18H22FNO2/c1-14(18(21-2)16-10-6-7-11-17(16)19)22-13-20-12-15-8-4-3-5-9-15/h3-11,14,18,20H,12-13H2,1-2H3
InChIKeyBJBIXOCBDWUJAK-UHFFFAOYSA-N
XLogP3.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-methoxypropan-1-amine
CID 58887986
(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
CID 81380322
N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine
CID 116773160
methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate
CID 110887723
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81379781
N-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene
CID 70442931
(1S,2R)-1-(2-fluorophenyl)-1-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]propan-2-amine
CID 97337119
N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086041
(2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid
CID 26985403
N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
CID 54806994
azane;N-benzyl-2-propan-2-yloxyethanamine
CID 68981527
N-benzyl-2-methoxy-2-phenylethanamine
CID 55038164

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]oxymethyl]-1-phenylmethanamine?
The IUPAC name of N-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]oxymethyl]-1-phenylmethanamine (CID 123492460) is N-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]oxymethyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]oxymethyl]-1-phenylmethanamine?
The canonical SMILES for N-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]oxymethyl]-1-phenylmethanamine is COC(c1ccccc1F)C(C)OCNCc1ccccc1.
What is the InChIKey of N-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]oxymethyl]-1-phenylmethanamine?
The InChIKey is BJBIXOCBDWUJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-14(18(21-2)16-10-6-7-11-17(16)19)22-13-20-12-15-8-4-3-5-9-15/h3-11,14,18,20H,12-13H2,1-2H3.
What are the key properties of N-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]oxymethyl]-1-phenylmethanamine?
N-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]oxymethyl]-1-phenylmethanamine has a molecular weight of 303.38 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]oxymethyl]-1-phenylmethanamine is sourced from PubChem (CID 123492460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).