4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline

C16H25BrN2 — CID 78944318

IUPAC4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline
SMILESCCN(c1ccc([C@@H](C)N)cc1Br)C1CCCCC1
InChIInChI=1S/C16H25BrN2/c1-3-19(14-7-5-4-6-8-14)16-10-9-13(12(2)18)11-15(16)17/h9-12,14H,3-8,18H2,1-2H3/t12-/m1/s1
InChIKeyPUQZIJAOYPMXBX-GFCCVEGCSA-N
MW325.29 g/mol
LogP4.63
Rot. Bonds4

About 4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline

4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline (PubChem CID 78944318) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline
PubChem CID78944318
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline
SMILESCCN(c1ccc([C@@H](C)N)cc1Br)C1CCCCC1
InChIInChI=1S/C16H25BrN2/c1-3-19(14-7-5-4-6-8-14)16-10-9-13(12(2)18)11-15(16)17/h9-12,14H,3-8,18H2,1-2H3/t12-/m1/s1
InChIKeyPUQZIJAOYPMXBX-GFCCVEGCSA-N
XLogP4.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline
CID 82794328
4-[(1S)-1-aminoethyl]-2-bromo-N,N-diethylaniline
CID 63368146
4-(1-aminoethyl)-2-bromo-N,N-diethylaniline
CID 62909492
2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63368344
2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide
CID 62908195
2-bromo-N-cyclopentyl-N-ethyl-4-(methylaminomethyl)aniline
CID 114062715
4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline
CID 62908844
4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline
CID 82955374
1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43541379
3-[2-bromo-N-cyclobutyl-4-[(1S)-1-hydroxyethyl]anilino]propan-1-ol
CID 102864100
1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
CID 28972591
2-[4-[(1R)-1-aminoethyl]-2-chloro-N-cyclopentylanilino]ethanol
CID 63368770

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline (CID 78944318) is 4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline is CCN(c1ccc([C@@H](C)N)cc1Br)C1CCCCC1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline?
The InChIKey is PUQZIJAOYPMXBX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-3-19(14-7-5-4-6-8-14)16-10-9-13(12(2)18)11-15(16)17/h9-12,14H,3-8,18H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline?
4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline has a molecular weight of 325.29 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline is sourced from PubChem (CID 78944318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).