2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline

C13H21FN2O — CID 63816194

IUPAC2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline
SMILESCOCCN(C)c1ccc(F)cc1CC(C)N
InChIInChI=1S/C13H21FN2O/c1-10(15)8-11-9-12(14)4-5-13(11)16(2)6-7-17-3/h4-5,9-10H,6-8,15H2,1-3H3
InChIKeyUAFFCIDVHSOFMG-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.80
Rot. Bonds6

About 2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline

2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline (PubChem CID 63816194) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline
PubChem CID63816194
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline
SMILESCOCCN(C)c1ccc(F)cc1CC(C)N
InChIInChI=1S/C13H21FN2O/c1-10(15)8-11-9-12(14)4-5-13(11)16(2)6-7-17-3/h4-5,9-10H,6-8,15H2,1-3H3
InChIKeyUAFFCIDVHSOFMG-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 63793781
2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 63817744
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 63785632
1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine
CID 117287117
4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline
CID 63815315
2-(2-aminopropyl)-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 63815488
2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 61429251
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 63795748
2-(2-aminopropyl)-4-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 114861654
2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline
CID 78934827
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
CID 55147418

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline?
The IUPAC name of 2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline (CID 63816194) is 2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline?
The canonical SMILES for 2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline is COCCN(C)c1ccc(F)cc1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline?
The InChIKey is UAFFCIDVHSOFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-10(15)8-11-9-12(14)4-5-13(11)16(2)6-7-17-3/h4-5,9-10H,6-8,15H2,1-3H3.
What are the key properties of 2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline?
2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline has a molecular weight of 240.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline is sourced from PubChem (CID 63816194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).