4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline

C16H27BrN2 — CID 82971713

IUPAC4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1cc(Br)ccc1N(C)CC(C)C
InChIInChI=1S/C16H27BrN2/c1-6-9-18-13(4)15-10-14(17)7-8-16(15)19(5)11-12(2)3/h7-8,10,12-13,18H,6,9,11H2,1-5H3
InChIKeyZUKNPLFDFBCBLN-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.60
Rot. Bonds7

About 4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline

4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline (PubChem CID 82971713) has the molecular formula C16H27BrN2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline
PubChem CID82971713
Molecular FormulaC16H27BrN2
Molecular Weight327.31 g/mol
Exact Mass326.14
IUPAC Name4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1cc(Br)ccc1N(C)CC(C)C
InChIInChI=1S/C16H27BrN2/c1-6-9-18-13(4)15-10-14(17)7-8-16(15)19(5)11-12(2)3/h7-8,10,12-13,18H,6,9,11H2,1-5H3
InChIKeyZUKNPLFDFBCBLN-UHFFFAOYSA-N
XLogP4.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 82971405
3-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]-2-methylpropanenitrile
CID 82968217
4-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-(2-methylpropyl)aniline
CID 82972419
2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol
CID 82971726
N-[4-bromo-2-[1-(propylamino)ethyl]phenyl]-N-methyloxolan-3-amine
CID 82968688
2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol
CID 82967927
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 82968175
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline
CID 82968453
5-bromo-2-[1-(propylamino)ethyl]phenol
CID 82976016
N-[1-[5-bromo-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethyl]propan-1-amine
CID 107750763
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
CID 82971800
N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine
CID 55068348

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline?
The IUPAC name of 4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline (CID 82971713) is 4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for 4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline?
The canonical SMILES for 4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline is CCCNC(C)c1cc(Br)ccc1N(C)CC(C)C.
What is the InChIKey of 4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline?
The InChIKey is ZUKNPLFDFBCBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2/c1-6-9-18-13(4)15-10-14(17)7-8-16(15)19(5)11-12(2)3/h7-8,10,12-13,18H,6,9,11H2,1-5H3.
What are the key properties of 4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline?
4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline has a molecular weight of 327.31 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 4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 82971713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).