5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline

C17H27BrN2 — CID 82968453

IUPAC5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1ccc(Br)cc1N(C)CC1CC1C
InChIInChI=1S/C17H27BrN2/c1-5-8-19-13(3)16-7-6-15(18)10-17(16)20(4)11-14-9-12(14)2/h6-7,10,12-14,19H,5,8-9,11H2,1-4H3
InChIKeyOSNGWNOCPJZCDN-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.60
Rot. Bonds7

About 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline

5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline (PubChem CID 82968453) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline
PubChem CID82968453
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1ccc(Br)cc1N(C)CC1CC1C
InChIInChI=1S/C17H27BrN2/c1-5-8-19-13(3)16-7-6-15(18)10-17(16)20(4)11-14-9-12(14)2/h6-7,10,12-14,19H,5,8-9,11H2,1-4H3
InChIKeyOSNGWNOCPJZCDN-UHFFFAOYSA-N
XLogP4.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline
CID 82955006
5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline
CID 82968406
4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 82971405
4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline
CID 82971713
2-[5-bromo-N-propan-2-yl-2-[1-(propylamino)ethyl]anilino]ethanol
CID 82968704
5-bromo-2-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 63865534
5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline
CID 82956232
N-[1-(4-bromo-2-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 82970060
5-bromo-2-[1-(propylamino)ethyl]phenol
CID 82976016
N-[1-(4-bromo-2-butan-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 82975390
2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol
CID 82967927
3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline
CID 114069158

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline?
The IUPAC name of 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline (CID 82968453) is 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline?
The canonical SMILES for 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline is CCCNC(C)c1ccc(Br)cc1N(C)CC1CC1C.
What is the InChIKey of 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline?
The InChIKey is OSNGWNOCPJZCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-5-8-19-13(3)16-7-6-15(18)10-17(16)20(4)11-14-9-12(14)2/h6-7,10,12-14,19H,5,8-9,11H2,1-4H3.
What are the key properties of 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline?
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline has a molecular weight of 339.32 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 82968453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).