4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline

C15H23BrN2O — CID 107274835

IUPAC4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
SMILESCOCCN(c1ccc(CN)c(Br)c1)C(C)C1CC1
InChIInChI=1S/C15H23BrN2O/c1-11(12-3-4-12)18(7-8-19-2)14-6-5-13(10-17)15(16)9-14/h5-6,9,11-12H,3-4,7-8,10,17H2,1-2H3
InChIKeyFLDYDRSVKMZOSS-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.16
Rot. Bonds7

About 4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline

4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline (PubChem CID 107274835) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
PubChem CID107274835
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
SMILESCOCCN(c1ccc(CN)c(Br)c1)C(C)C1CC1
InChIInChI=1S/C15H23BrN2O/c1-11(12-3-4-12)18(7-8-19-2)14-6-5-13(10-17)15(16)9-14/h5-6,9,11-12H,3-4,7-8,10,17H2,1-2H3
InChIKeyFLDYDRSVKMZOSS-UHFFFAOYSA-N
XLogP3.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-3-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 62944699
2-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 114879593
2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 55002820
4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine
CID 63676257
4-(aminomethyl)-2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63086671
6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 116796670
3-bromo-4-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 114060497
1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-4-methylbenzene-1,2-diamine
CID 55004687
2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63815654
4-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarbothioamide
CID 114903023
(1R)-1-[5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938600
4-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzonitrile
CID 114901661

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline?
The IUPAC name of 4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline (CID 107274835) is 4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline is COCCN(c1ccc(CN)c(Br)c1)C(C)C1CC1.
What is the InChIKey of 4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline?
The InChIKey is FLDYDRSVKMZOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11(12-3-4-12)18(7-8-19-2)14-6-5-13(10-17)15(16)9-14/h5-6,9,11-12H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline?
4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline has a molecular weight of 327.27 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 107274835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).