4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline

C16H27BrN2 — CID 82968175

IUPAC4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
SMILESCCNC(C)c1cc(Br)ccc1N(C)C(C)(C)CC
InChIInChI=1S/C16H27BrN2/c1-7-16(4,5)19(6)15-10-9-13(17)11-14(15)12(3)18-8-2/h9-12,18H,7-8H2,1-6H3
InChIKeyPSPMTZRCUKJMFK-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.74
Rot. Bonds6

About 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline

4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline (PubChem CID 82968175) has the molecular formula C16H27BrN2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
PubChem CID82968175
Molecular FormulaC16H27BrN2
Molecular Weight327.31 g/mol
Exact Mass326.14
IUPAC Name4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
SMILESCCNC(C)c1cc(Br)ccc1N(C)C(C)(C)CC
InChIInChI=1S/C16H27BrN2/c1-7-16(4,5)19(6)15-10-9-13(17)11-14(15)12(3)18-8-2/h9-12,18H,7-8H2,1-6H3
InChIKeyPSPMTZRCUKJMFK-UHFFFAOYSA-N
XLogP4.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 82968527
4-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-(2-methylpropyl)aniline
CID 82972419
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
CID 82971800
3-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]-2-methylpropanenitrile
CID 82968217
2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol
CID 82971726
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylphenyl)aniline
CID 82956018
4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline
CID 63982799
4-bromo-2-[1-(ethylamino)ethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 82967945
2-(2-aminopropyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 114061965
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 82955256
5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
CID 82971768
2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol
CID 79603823

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline?
The IUPAC name of 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline (CID 82968175) is 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline.
What is the SMILES notation for 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline?
The canonical SMILES for 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline is CCNC(C)c1cc(Br)ccc1N(C)C(C)(C)CC.
What is the InChIKey of 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline?
The InChIKey is PSPMTZRCUKJMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2/c1-7-16(4,5)19(6)15-10-9-13(17)11-14(15)12(3)18-8-2/h9-12,18H,7-8H2,1-6H3.
What are the key properties of 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline?
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline has a molecular weight of 327.31 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline is sourced from PubChem (CID 82968175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).