N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline

C13H19FN2O — CID 62462333

IUPACN-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline
SMILESCN(CC1CCC(CN)O1)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-16(11-4-2-3-10(14)7-11)9-13-6-5-12(8-15)17-13/h2-4,7,12-13H,5-6,8-9,15H2,1H3
InChIKeyPQVYTLAMXVEBNX-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.77
Rot. Bonds4

About N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline

N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline (PubChem CID 62462333) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline
PubChem CID62462333
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline
SMILESCN(CC1CCC(CN)O1)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-16(11-4-2-3-10(14)7-11)9-13-6-5-12(8-15)17-13/h2-4,7,12-13H,5-6,8-9,15H2,1H3
InChIKeyPQVYTLAMXVEBNX-UHFFFAOYSA-N
XLogP1.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-2-carboxamide
CID 120783700
N-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline
CID 62611386
N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 55074213
[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine
CID 62461292
1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol
CID 64818513
N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085371
(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide
CID 120787294
4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62436939
1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 113448204
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926
N'-(3-fluorophenyl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448202
4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62437113

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline (CID 62462333) is N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline is CN(CC1CCC(CN)O1)c1cccc(F)c1.
What is the InChIKey of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline?
The InChIKey is PQVYTLAMXVEBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16(11-4-2-3-10(14)7-11)9-13-6-5-12(8-15)17-13/h2-4,7,12-13H,5-6,8-9,15H2,1H3.
What are the key properties of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline?
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline has a molecular weight of 238.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 62462333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).