N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline

C15H25FN2O — CID 54999850

IUPACN-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
SMILESCCC(C)N(CCOC)c1ccc(F)cc1CNC
InChIInChI=1S/C15H25FN2O/c1-5-12(2)18(8-9-19-4)15-7-6-14(16)10-13(15)11-17-3/h6-7,10,12,17H,5,8-9,11H2,1-4H3
InChIKeyKBTRLTZROSHWJS-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.80
Rot. Bonds8

About N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline

N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline (PubChem CID 54999850) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
PubChem CID54999850
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC NameN-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
SMILESCCC(C)N(CCOC)c1ccc(F)cc1CNC
InChIInChI=1S/C15H25FN2O/c1-5-12(2)18(8-9-19-4)15-7-6-14(16)10-13(15)11-17-3/h6-7,10,12,17H,5,8-9,11H2,1-4H3
InChIKeyKBTRLTZROSHWJS-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 61418968
2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82961156
4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 43313954
[5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
CID 55005532
2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde
CID 54999779
4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 79484228
2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzoic acid
CID 55000117
N-ethyl-4-fluoro-N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63059193
N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 63551014
3-[2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorophenyl]prop-2-enoic acid
CID 76911951
1-N-butan-2-yl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 55001534
(1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 78940624

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline?
The IUPAC name of N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline (CID 54999850) is N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline.
What is the SMILES notation for N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline?
The canonical SMILES for N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline is CCC(C)N(CCOC)c1ccc(F)cc1CNC.
What is the InChIKey of N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline?
The InChIKey is KBTRLTZROSHWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-5-12(2)18(8-9-19-4)15-7-6-14(16)10-13(15)11-17-3/h6-7,10,12,17H,5,8-9,11H2,1-4H3.
What are the key properties of N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline?
N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline has a molecular weight of 268.38 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline is sourced from PubChem (CID 54999850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).