2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline

C15H23FN2O — CID 61432188

IUPAC2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCC(N)c1c(F)cccc1N(C)CC1CCCCO1
InChIInChI=1S/C15H23FN2O/c1-11(17)15-13(16)7-5-8-14(15)18(2)10-12-6-3-4-9-19-12/h5,7-8,11-12H,3-4,6,9-10,17H2,1-2H3
InChIKeyJIVLFPVXPRCKGM-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.85
Rot. Bonds4

About 2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline

2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline (PubChem CID 61432188) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
PubChem CID61432188
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCC(N)c1c(F)cccc1N(C)CC1CCCCO1
InChIInChI=1S/C15H23FN2O/c1-11(17)15-13(16)7-5-8-14(15)18(2)10-12-6-3-4-9-19-12/h5,7-8,11-12H,3-4,6,9-10,17H2,1-2H3
InChIKeyJIVLFPVXPRCKGM-UHFFFAOYSA-N
XLogP2.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 79522764
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63817737
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 43614150
2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
CID 104873538
1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol
CID 61432196
4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 63794010
2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 82971512
3-fluoro-2-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 62648696
2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432443
4-(bromomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 107081234
2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63787027

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline?
The IUPAC name of 2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline (CID 61432188) is 2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline is CC(N)c1c(F)cccc1N(C)CC1CCCCO1.
What is the InChIKey of 2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline?
The InChIKey is JIVLFPVXPRCKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(17)15-13(16)7-5-8-14(15)18(2)10-12-6-3-4-9-19-12/h5,7-8,11-12H,3-4,6,9-10,17H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline?
2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline has a molecular weight of 266.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline is sourced from PubChem (CID 61432188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).