4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline

C18H29BrN2 — CID 82955374

IUPAC4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline
SMILESCCNC(C)c1cc(Br)ccc1N(CC)C1CCCCC1
InChIInChI=1S/C18H29BrN2/c1-4-20-14(3)17-13-15(19)11-12-18(17)21(5-2)16-9-7-6-8-10-16/h11-14,16,20H,4-10H2,1-3H3
InChIKeyXUFBCEOANBKWOL-UHFFFAOYSA-N
MW353.35 g/mol
LogP5.28
Rot. Bonds6

About 4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline

4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline (PubChem CID 82955374) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline
PubChem CID82955374
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC Name4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline
SMILESCCNC(C)c1cc(Br)ccc1N(CC)C1CCCCC1
InChIInChI=1S/C18H29BrN2/c1-4-20-14(3)17-13-15(19)11-12-18(17)21(5-2)16-9-7-6-8-10-16/h11-14,16,20H,4-10H2,1-3H3
InChIKeyXUFBCEOANBKWOL-UHFFFAOYSA-N
XLogP5.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.35
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline
CID 43541268
4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline
CID 82968101
5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline
CID 82955006
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 82954617
N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine
CID 82955224
3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol
CID 102863395
2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 63533268
4-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-(2-methylpropyl)aniline
CID 82972419
2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol
CID 82967927
4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline
CID 78944318
2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 102863558
N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 43284232

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline?
The IUPAC name of 4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline (CID 82955374) is 4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline.
What is the SMILES notation for 4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline?
The canonical SMILES for 4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline is CCNC(C)c1cc(Br)ccc1N(CC)C1CCCCC1.
What is the InChIKey of 4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline?
The InChIKey is XUFBCEOANBKWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-4-20-14(3)17-13-15(19)11-12-18(17)21(5-2)16-9-7-6-8-10-16/h11-14,16,20H,4-10H2,1-3H3.
What are the key properties of 4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline?
4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline has a molecular weight of 353.35 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline is sourced from PubChem (CID 82955374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).