5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline

C17H29BrN2O — CID 82956232

IUPAC5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1ccc(Br)cc1N(CCOC)C(C)C
InChIInChI=1S/C17H29BrN2O/c1-6-9-19-14(4)16-8-7-15(18)12-17(16)20(13(2)3)10-11-21-5/h7-8,12-14,19H,6,9-11H2,1-5H3
InChIKeyXIMCMVZDVIQZQI-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.37
Rot. Bonds9

About 5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline

5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline (PubChem CID 82956232) has the molecular formula C17H29BrN2O and a molecular weight of 357.34 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline
PubChem CID82956232
Molecular FormulaC17H29BrN2O
Molecular Weight357.34 g/mol
Exact Mass356.15
IUPAC Name5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1ccc(Br)cc1N(CCOC)C(C)C
InChIInChI=1S/C17H29BrN2O/c1-6-9-19-14(4)16-8-7-15(18)12-17(16)20(13(2)3)10-11-21-5/h7-8,12-14,19H,6,9-11H2,1-5H3
InChIKeyXIMCMVZDVIQZQI-UHFFFAOYSA-N
XLogP4.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-N-propan-2-yl-2-[1-(propylamino)ethyl]anilino]ethanol
CID 82968704
2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol
CID 82968775
5-bromo-2-[1-(propylamino)ethyl]phenol
CID 82976016
2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82968759
2-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82951873
N-(2-methoxyethyl)-N-propan-2-yl-4-[1-(propylamino)ethyl]pyridin-2-amine
CID 82951129
5-bromo-2-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82959718
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline
CID 82968453
5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline
CID 82955006
N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine
CID 55068348
4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 82971405
N-[1-(4-bromo-2-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 82970060

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline (CID 82956232) is 5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline is CCCNC(C)c1ccc(Br)cc1N(CCOC)C(C)C.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline?
The InChIKey is XIMCMVZDVIQZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2O/c1-6-9-19-14(4)16-8-7-15(18)12-17(16)20(13(2)3)10-11-21-5/h7-8,12-14,19H,6,9-11H2,1-5H3.
What are the key properties of 5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline?
5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline has a molecular weight of 357.34 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 82956232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).