N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine

C18H28BrN — CID 82936298

IUPACN-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(c1ccccc1Br)C1CCCCC1
InChIInChI=1S/C18H28BrN/c1-14(2)12-20-13-17(15-8-4-3-5-9-15)16-10-6-7-11-18(16)19/h6-7,10-11,14-15,17,20H,3-5,8-9,12-13H2,1-2H3
InChIKeyZSGSPKNUAXKPBB-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.36
Rot. Bonds6

About N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine

N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine (PubChem CID 82936298) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine
PubChem CID82936298
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC NameN-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(c1ccccc1Br)C1CCCCC1
InChIInChI=1S/C18H28BrN/c1-14(2)12-20-13-17(15-8-4-3-5-9-15)16-10-6-7-11-18(16)19/h6-7,10-11,14-15,17,20H,3-5,8-9,12-13H2,1-2H3
InChIKeyZSGSPKNUAXKPBB-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-2-amine
CID 82933829
N-(2-cyclopentyl-2-phenylethyl)-2-methylpropan-1-amine
CID 82934095
N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 104819491
N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine
CID 66436074
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383230
(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine
CID 81389871
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383884
N-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 79436985
N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 82932645
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 79448646
N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-2-amine
CID 82932644

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine (CID 82936298) is N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine is CC(C)CNCC(c1ccccc1Br)C1CCCCC1.
What is the InChIKey of N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine?
The InChIKey is ZSGSPKNUAXKPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN/c1-14(2)12-20-13-17(15-8-4-3-5-9-15)16-10-6-7-11-18(16)19/h6-7,10-11,14-15,17,20H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine?
N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine has a molecular weight of 338.33 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82936298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).