4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline

C15H24FN3 — CID 78936852

IUPAC4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
SMILESC[C@H](N)c1ccc(N(C)CC2CCN(C)C2)c(F)c1
InChIInChI=1S/C15H24FN3/c1-11(17)13-4-5-15(14(16)8-13)19(3)10-12-6-7-18(2)9-12/h4-5,8,11-12H,6-7,9-10,17H2,1-3H3/t11-,12?/m0/s1
InChIKeyDBCZBFPBGKRLHG-PXYINDEMSA-N
MW265.38 g/mol
LogP2.23
Rot. Bonds4

About 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline

4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline (PubChem CID 78936852) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
PubChem CID78936852
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
SMILESC[C@H](N)c1ccc(N(C)CC2CCN(C)C2)c(F)c1
InChIInChI=1S/C15H24FN3/c1-11(17)13-4-5-15(14(16)8-13)19(3)10-12-6-7-18(2)9-12/h4-5,8,11-12H,6-7,9-10,17H2,1-3H3/t11-,12?/m0/s1
InChIKeyDBCZBFPBGKRLHG-PXYINDEMSA-N
XLogP2.23
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63630716
[3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
CID 63273796
4-(1-aminoethyl)-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 55227392
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
CID 63368247
2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275703
1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol
CID 55172587
2-(2-aminoethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63783264
(1R)-1-[3-bromo-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol
CID 78941209
4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63236717
1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol
CID 61446052
2-(2-aminopropyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63793436
1-(4-bromo-3-fluorophenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 81437678

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
The IUPAC name of 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline (CID 78936852) is 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline is C[C@H](N)c1ccc(N(C)CC2CCN(C)C2)c(F)c1.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
The InChIKey is DBCZBFPBGKRLHG-PXYINDEMSA-N. The full InChI is InChI=1S/C15H24FN3/c1-11(17)13-4-5-15(14(16)8-13)19(3)10-12-6-7-18(2)9-12/h4-5,8,11-12H,6-7,9-10,17H2,1-3H3/t11-,12?/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline has a molecular weight of 265.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline is sourced from PubChem (CID 78936852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).