1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine

C14H20BrNO — CID 117480345

IUPAC1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine
SMILESCONCc1ccc(C2CCCCC2)c(Br)c1
InChIInChI=1S/C14H20BrNO/c1-17-16-10-11-7-8-13(14(15)9-11)12-5-3-2-4-6-12/h7-9,12,16H,2-6,10H2,1H3
InChIKeyXRJCLIVIWSAUFN-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.15
Rot. Bonds4

About 1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine

1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine (PubChem CID 117480345) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine
PubChem CID117480345
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine
SMILESCONCc1ccc(C2CCCCC2)c(Br)c1
InChIInChI=1S/C14H20BrNO/c1-17-16-10-11-7-8-13(14(15)9-11)12-5-3-2-4-6-12/h7-9,12,16H,2-6,10H2,1H3
InChIKeyXRJCLIVIWSAUFN-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine
CID 117302343
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117460986
1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine
CID 117398541
1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine
CID 117427939
1-[3-bromo-4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 117419019
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
1-(3-bromo-4-pentan-3-ylphenyl)-N-methoxymethanamine
CID 117461462
N-[(4-cyclohexyl-3-fluorophenyl)methyl]hydroxylamine
CID 117320222
1-(3-bromo-4-cyclohexylphenyl)ethanamine
CID 117453319
1-(3-bromo-4-cyclopentylphenyl)ethanamine
CID 83844709
2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 117474630
2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene
CID 117104274

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine (CID 117480345) is 1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine is CONCc1ccc(C2CCCCC2)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine?
The InChIKey is XRJCLIVIWSAUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-17-16-10-11-7-8-13(14(15)9-11)12-5-3-2-4-6-12/h7-9,12,16H,2-6,10H2,1H3.
What are the key properties of 1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine?
1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine has a molecular weight of 298.22 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117480345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).