2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline

C15H23FN2O — CID 55002820

IUPAC2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline
SMILESCOCCN(c1ccc(F)cc1CN)C(C)C1CC1
InChIInChI=1S/C15H23FN2O/c1-11(12-3-4-12)18(7-8-19-2)15-6-5-14(16)9-13(15)10-17/h5-6,9,11-12H,3-4,7-8,10,17H2,1-2H3
InChIKeyJTTKOMUSLSKZIU-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.54
Rot. Bonds7

About 2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline

2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline (PubChem CID 55002820) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline
PubChem CID55002820
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline
SMILESCOCCN(c1ccc(F)cc1CN)C(C)C1CC1
InChIInChI=1S/C15H23FN2O/c1-11(12-3-4-12)18(7-8-19-2)15-6-5-14(16)9-13(15)10-17/h5-6,9,11-12H,3-4,7-8,10,17H2,1-2H3
InChIKeyJTTKOMUSLSKZIU-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 78935385
4-(aminomethyl)-2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63086671
4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 107274835
4-(aminomethyl)-3-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 62944699
2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63815654
1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-4-methylbenzene-1,2-diamine
CID 55004687
1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 107259041
[5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol
CID 114845469
4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile
CID 55002927
2-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 114879593
[5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
CID 55005532
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63368929

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline?
The IUPAC name of 2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline (CID 55002820) is 2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline is COCCN(c1ccc(F)cc1CN)C(C)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline?
The InChIKey is JTTKOMUSLSKZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(12-3-4-12)18(7-8-19-2)15-6-5-14(16)9-13(15)10-17/h5-6,9,11-12H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline?
2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline has a molecular weight of 266.36 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 55002820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).