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

C17H26BrN — CID 43433174

IUPACN-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCc1ccccc1Br
InChIInChI=1S/C17H26BrN/c1-17(2,3)14-9-5-7-11-16(14)19-12-13-8-4-6-10-15(13)18/h4,6,8,10,14,16,19H,5,7,9,11-12H2,1-3H3
InChIKeyBSLNQULLSXKJSU-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.14
Rot. Bonds3

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

N-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine (PubChem CID 43433174) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
PubChem CID43433174
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCc1ccccc1Br
InChIInChI=1S/C17H26BrN/c1-17(2,3)14-9-5-7-11-16(14)19-12-13-8-4-6-10-15(13)18/h4,6,8,10,14,16,19H,5,7,9,11-12H2,1-3H3
InChIKeyBSLNQULLSXKJSU-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 66160658
N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909294
2,6-dibromo-4-[[(2-tert-butylcyclohexyl)amino]methyl]phenol
CID 107740537
2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 43433182
(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
CID 97358207
N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 81383486
trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 15739492
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 63305408
N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butylcyclohexan-1-amine
CID 43078372
2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline
CID 66418811
methyl 3-[[(2-tert-butylcyclohexyl)amino]methyl]furan-2-carboxylate
CID 43435730

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine (CID 43433174) is N-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine is CC(C)(C)C1CCCCC1NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine?
The InChIKey is BSLNQULLSXKJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-17(2,3)14-9-5-7-11-16(14)19-12-13-8-4-6-10-15(13)18/h4,6,8,10,14,16,19H,5,7,9,11-12H2,1-3H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine?
N-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine is sourced from PubChem (CID 43433174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).