2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol

C16H24BrNO — CID 79855155

IUPAC2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(CN)(Cc2ccccc2Br)C1O
InChIInChI=1S/C16H24BrNO/c1-15(2)8-5-9-16(11-18,14(15)19)10-12-6-3-4-7-13(12)17/h3-4,6-7,14,19H,5,8-11,18H2,1-2H3
InChIKeyWRXJAESCPDXERC-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.51
Rot. Bonds3

About 2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol

2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol (PubChem CID 79855155) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
PubChem CID79855155
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(CN)(Cc2ccccc2Br)C1O
InChIInChI=1S/C16H24BrNO/c1-15(2)8-5-9-16(11-18,14(15)19)10-12-6-3-4-7-13(12)17/h3-4,6-7,14,19H,5,8-11,18H2,1-2H3
InChIKeyWRXJAESCPDXERC-UHFFFAOYSA-N
XLogP3.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855011
2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855538
2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol
CID 79865443
2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol
CID 79855992
2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855610
2-(aminomethyl)-2-[(2-methylphenyl)methyl]cyclohexan-1-ol
CID 65393602
[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65394458
1-[(2-bromophenyl)methyl]cyclooctan-1-amine
CID 80603079
2-(aminomethyl)-2-[(2-bromo-4-nitrophenyl)methyl]cyclohexan-1-ol
CID 65393397
1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene
CID 84730094
1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735964
[2-[(2-bromophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 117169627

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol (CID 79855155) is 2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol is CC1(C)CCCC(CN)(Cc2ccccc2Br)C1O.
What is the InChIKey of 2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol?
The InChIKey is WRXJAESCPDXERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-15(2)8-5-9-16(11-18,14(15)19)10-12-6-3-4-7-13(12)17/h3-4,6-7,14,19H,5,8-11,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol?
2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol has a molecular weight of 326.28 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79855155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).