N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine

C17H25BrClN — CID 66160658

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCc1cc(Cl)ccc1Br
InChIInChI=1S/C17H25BrClN/c1-17(2,3)14-6-4-5-7-16(14)20-11-12-10-13(19)8-9-15(12)18/h8-10,14,16,20H,4-7,11H2,1-3H3
InChIKeyFIGYEJKQPBIFIF-UHFFFAOYSA-N
MW358.75 g/mol
LogP5.80
Rot. Bonds3

About N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine

N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine (PubChem CID 66160658) has the molecular formula C17H25BrClN and a molecular weight of 358.75 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine
PubChem CID66160658
Molecular FormulaC17H25BrClN
Molecular Weight358.75 g/mol
Exact Mass357.09
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCc1cc(Cl)ccc1Br
InChIInChI=1S/C17H25BrClN/c1-17(2,3)14-6-4-5-7-16(14)20-11-12-10-13(19)8-9-15(12)18/h8-10,14,16,20H,4-7,11H2,1-3H3
InChIKeyFIGYEJKQPBIFIF-UHFFFAOYSA-N
XLogP5.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.75
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 43433174
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 43433182
N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 66159387
N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66161363
2,6-dibromo-4-[[(2-tert-butylcyclohexyl)amino]methyl]phenol
CID 107740537
N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 66160263
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 60957296
N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline
CID 55199009
1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719676
N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butylcyclohexan-1-amine
CID 43078372
N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine
CID 66161345

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine (CID 66160658) is N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine is CC(C)(C)C1CCCCC1NCc1cc(Cl)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine?
The InChIKey is FIGYEJKQPBIFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrClN/c1-17(2,3)14-6-4-5-7-16(14)20-11-12-10-13(19)8-9-15(12)18/h8-10,14,16,20H,4-7,11H2,1-3H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine?
N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine has a molecular weight of 358.75 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine is sourced from PubChem (CID 66160658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).