2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline

C16H25FN2O — CID 78935385

IUPAC2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline
SMILESCOCCN(c1ccc(F)cc1[C@H](C)N)C(C)C1CC1
InChIInChI=1S/C16H25FN2O/c1-11(18)15-10-14(17)6-7-16(15)19(8-9-20-3)12(2)13-4-5-13/h6-7,10-13H,4-5,8-9,18H2,1-3H3/t11-,12?/m0/s1
InChIKeyOMDGOVSYPYKJAF-PXYINDEMSA-N
MW280.39 g/mol
LogP3.10
Rot. Bonds7

About 2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline

2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline (PubChem CID 78935385) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline
PubChem CID78935385
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline
SMILESCOCCN(c1ccc(F)cc1[C@H](C)N)C(C)C1CC1
InChIInChI=1S/C16H25FN2O/c1-11(18)15-10-14(17)6-7-16(15)19(8-9-20-3)12(2)13-4-5-13/h6-7,10-13H,4-5,8-9,18H2,1-3H3/t11-,12?/m0/s1
InChIKeyOMDGOVSYPYKJAF-PXYINDEMSA-N
XLogP3.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 55002820
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63368929
2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline
CID 78934827
1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-4-methylbenzene-1,2-diamine
CID 55004687
4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile
CID 55002927
2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63815654
4-(aminomethyl)-2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63086671
1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 107259041
2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82968759
[5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol
CID 114845469
2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55190464
3-[2-[(1R)-1-aminoethyl]-4-fluoro-N-propan-2-ylanilino]propan-1-ol
CID 63368684

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline?
The IUPAC name of 2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline (CID 78935385) is 2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline is COCCN(c1ccc(F)cc1[C@H](C)N)C(C)C1CC1.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline?
The InChIKey is OMDGOVSYPYKJAF-PXYINDEMSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-11(18)15-10-14(17)6-7-16(15)19(8-9-20-3)12(2)13-4-5-13/h6-7,10-13H,4-5,8-9,18H2,1-3H3/t11-,12?/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline?
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline has a molecular weight of 280.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 78935385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).