3-bromo-N-(4-tert-butylcyclohexyl)aniline

C16H24BrN — CID 28546222

IUPAC3-bromo-N-(4-tert-butylcyclohexyl)aniline
SMILESCC(C)(C)C1CCC(Nc2cccc(Br)c2)CC1
InChIInChI=1S/C16H24BrN/c1-16(2,3)12-7-9-14(10-8-12)18-15-6-4-5-13(17)11-15/h4-6,11-12,14,18H,7-10H2,1-3H3
InChIKeyUZCLYBMCWNAJNM-UHFFFAOYSA-N
MW310.28 g/mol
LogP5.47
Rot. Bonds2

About 3-bromo-N-(4-tert-butylcyclohexyl)aniline

3-bromo-N-(4-tert-butylcyclohexyl)aniline (PubChem CID 28546222) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 3-bromo-N-(4-tert-butylcyclohexyl)aniline.

Molecular Properties

Compound Name3-bromo-N-(4-tert-butylcyclohexyl)aniline
PubChem CID28546222
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name3-bromo-N-(4-tert-butylcyclohexyl)aniline
SMILESCC(C)(C)C1CCC(Nc2cccc(Br)c2)CC1
InChIInChI=1S/C16H24BrN/c1-16(2,3)12-7-9-14(10-8-12)18-15-6-4-5-13(17)11-15/h4-6,11-12,14,18H,7-10H2,1-3H3
InChIKeyUZCLYBMCWNAJNM-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.28
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-tert-butylcyclohexyl)-3-methylsulfanylaniline
CID 28533619
3-bromo-N-(4-phenylcyclohexyl)aniline
CID 29031587
N-(3-bromophenyl)oxan-4-amine
CID 43608425
tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate
CID 103715349
4-tert-butyl-N-phenylcycloheptan-1-amine
CID 65090391
3-bromo-N-[2-(4-tert-butylpiperidin-1-yl)ethyl]aniline
CID 63502175
4-tert-butyl-N-(2,5-dibromophenyl)cycloheptan-1-amine
CID 65090161
N-(4-tert-butylcyclohexyl)-3,5-difluoroaniline
CID 28523701
3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline
CID 43633547
3-bromo-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 112681853
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)cyclohexane-1,2-diamine
CID 12024701
N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199670

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-tert-butylcyclohexyl)aniline?
The IUPAC name of 3-bromo-N-(4-tert-butylcyclohexyl)aniline (CID 28546222) is 3-bromo-N-(4-tert-butylcyclohexyl)aniline.
What is the SMILES notation for 3-bromo-N-(4-tert-butylcyclohexyl)aniline?
The canonical SMILES for 3-bromo-N-(4-tert-butylcyclohexyl)aniline is CC(C)(C)C1CCC(Nc2cccc(Br)c2)CC1.
What is the InChIKey of 3-bromo-N-(4-tert-butylcyclohexyl)aniline?
The InChIKey is UZCLYBMCWNAJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-16(2,3)12-7-9-14(10-8-12)18-15-6-4-5-13(17)11-15/h4-6,11-12,14,18H,7-10H2,1-3H3.
What are the key properties of 3-bromo-N-(4-tert-butylcyclohexyl)aniline?
3-bromo-N-(4-tert-butylcyclohexyl)aniline has a molecular weight of 310.28 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-tert-butylcyclohexyl)aniline is sourced from PubChem (CID 28546222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).