4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline

C16H27BrN2 — CID 82971800

IUPAC4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
SMILESCCNC(C)c1cc(Br)ccc1N(C)C(CC)CC
InChIInChI=1S/C16H27BrN2/c1-6-14(7-2)19(5)16-10-9-13(17)11-15(16)12(4)18-8-3/h9-12,14,18H,6-8H2,1-5H3
InChIKeyYOTAMDUHNXEBNI-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.74
Rot. Bonds7

About 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline

4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline (PubChem CID 82971800) 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-pentan-3-ylaniline.

Molecular Properties

Compound Name4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
PubChem CID82971800
Molecular FormulaC16H27BrN2
Molecular Weight327.31 g/mol
Exact Mass326.14
IUPAC Name4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
SMILESCCNC(C)c1cc(Br)ccc1N(C)C(CC)CC
InChIInChI=1S/C16H27BrN2/c1-6-14(7-2)19(5)16-10-9-13(17)11-15(16)12(4)18-8-3/h9-12,14,18H,6-8H2,1-5H3
InChIKeyYOTAMDUHNXEBNI-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 82968175
2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol
CID 82971726
4-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-(2-methylpropyl)aniline
CID 82972419
3-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]-2-methylpropanenitrile
CID 82968217
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylphenyl)aniline
CID 82956018
4-bromo-2-[1-(ethylamino)ethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 82967945
5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
CID 82971768
4-bromo-1-N-methyl-1-N-pentan-3-ylbenzene-1,2-diamine
CID 43570912
4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 82971405
2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
CID 63533729
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 82954617
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 82955986

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline?
The IUPAC name of 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline (CID 82971800) is 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline.
What is the SMILES notation for 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline?
The canonical SMILES for 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline is CCNC(C)c1cc(Br)ccc1N(C)C(CC)CC.
What is the InChIKey of 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline?
The InChIKey is YOTAMDUHNXEBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2/c1-6-14(7-2)19(5)16-10-9-13(17)11-15(16)12(4)18-8-3/h9-12,14,18H,6-8H2,1-5H3.
What are the key properties of 4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline?
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline has a molecular weight of 327.31 g/mol, XLogP of 4.74, 7 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-pentan-3-ylaniline is sourced from PubChem (CID 82971800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).