5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline

C16H25BrN2O — CID 81057223

IUPAC5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline
SMILESCC(C)OCCN(C)c1cc(Br)ccc1CNC1CC1
InChIInChI=1S/C16H25BrN2O/c1-12(2)20-9-8-19(3)16-10-14(17)5-4-13(16)11-18-15-6-7-15/h4-5,10,12,15,18H,6-9,11H2,1-3H3
InChIKeyILVVCLORRYEHMQ-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.56
Rot. Bonds8

About 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline

5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline (PubChem CID 81057223) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline.

Molecular Properties

Compound Name5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline
PubChem CID81057223
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline
SMILESCC(C)OCCN(C)c1cc(Br)ccc1CNC1CC1
InChIInChI=1S/C16H25BrN2O/c1-12(2)20-9-8-19(3)16-10-14(17)5-4-13(16)11-18-15-6-7-15/h4-5,10,12,15,18H,6-9,11H2,1-3H3
InChIKeyILVVCLORRYEHMQ-UHFFFAOYSA-N
XLogP3.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
CID 43281873
2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
CID 54879396
2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81056751
5-bromo-2-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82959718
5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 63553037
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 63553054
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63551172
5-bromo-2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methoxyethyl)aniline
CID 61447057
N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280907
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79310755
5-bromo-N-(2-methoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 55146082
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442495

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
The IUPAC name of 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline (CID 81057223) is 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline.
What is the SMILES notation for 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
The canonical SMILES for 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline is CC(C)OCCN(C)c1cc(Br)ccc1CNC1CC1.
What is the InChIKey of 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
The InChIKey is ILVVCLORRYEHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-12(2)20-9-8-19(3)16-10-14(17)5-4-13(16)11-18-15-6-7-15/h4-5,10,12,15,18H,6-9,11H2,1-3H3.
What are the key properties of 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline has a molecular weight of 341.29 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline is sourced from PubChem (CID 81057223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).