1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine

C17H26BrN — CID 60799064

IUPAC1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1(N)Cc1ccccc1Br
InChIInChI=1S/C17H26BrN/c1-16(2,3)15-10-6-7-11-17(15,19)12-13-8-4-5-9-14(13)18/h4-5,8-9,15H,6-7,10-12,19H2,1-3H3
InChIKeyDTERSZRAGJVNQB-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.93
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine

1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine (PubChem CID 60799064) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
PubChem CID60799064
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1(N)Cc1ccccc1Br
InChIInChI=1S/C17H26BrN/c1-16(2,3)15-10-6-7-11-17(15,19)12-13-8-4-5-9-14(13)18/h4-5,8-9,15H,6-7,10-12,19H2,1-3H3
InChIKeyDTERSZRAGJVNQB-UHFFFAOYSA-N
XLogP4.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 104793292
2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63408216
2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 63408085
1-[(2-bromophenyl)methyl]cyclooctan-1-amine
CID 80603079
2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60797418
1-[(2-bromophenyl)methyl]-2-ethylcyclopropan-1-amine
CID 79333871
2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine
CID 63408173
2-tert-butyl-1-propylcyclohexan-1-amine
CID 43809442
1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080509
3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
CID 114535509
2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 82869975
1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086943

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine (CID 60799064) is 1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine is CC(C)(C)C1CCCCC1(N)Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine?
The InChIKey is DTERSZRAGJVNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-16(2,3)15-10-6-7-11-17(15,19)12-13-8-4-5-9-14(13)18/h4-5,8-9,15H,6-7,10-12,19H2,1-3H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine?
1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine is sourced from PubChem (CID 60799064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).