N-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline

C14H21FN2O — CID 63739983

IUPACN-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline
SMILESCN(CC1(CN)CCCOC1)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-17(13-5-2-4-12(15)8-13)10-14(9-16)6-3-7-18-11-14/h2,4-5,8H,3,6-7,9-11,16H2,1H3
InChIKeyONCOALOGFQFVOE-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.02
Rot. Bonds4

About N-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline

N-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline (PubChem CID 63739983) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline
PubChem CID63739983
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline
SMILESCN(CC1(CN)CCCOC1)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-17(13-5-2-4-12(15)8-13)10-14(9-16)6-3-7-18-11-14/h2,4-5,8H,3,6-7,9-11,16H2,1H3
InChIKeyONCOALOGFQFVOE-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol
CID 63745907
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline
CID 63740502
N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline
CID 63742093
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylaniline
CID 115448798
3-(aminomethyl)-N-ethyl-N-(3-fluorophenyl)oxolan-3-amine
CID 63335502
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63739803
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline
CID 84789895
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115249300
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline
CID 79848165
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide
CID 104678073
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 63740832
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylnaphthalen-2-amine
CID 115245752

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline (CID 63739983) is N-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline is CN(CC1(CN)CCCOC1)c1cccc(F)c1.
What is the InChIKey of N-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline?
The InChIKey is ONCOALOGFQFVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-17(13-5-2-4-12(15)8-13)10-14(9-16)6-3-7-18-11-14/h2,4-5,8H,3,6-7,9-11,16H2,1H3.
What are the key properties of N-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline?
N-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline has a molecular weight of 252.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 63739983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).