N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine

C17H26BrNO2 — CID 82926404

IUPACN-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(OC2CCCCCC2)ccc1Br
InChIInChI=1S/C17H26BrNO2/c1-20-11-10-19-13-14-12-16(8-9-17(14)18)21-15-6-4-2-3-5-7-15/h8-9,12,15,19H,2-7,10-11,13H2,1H3
InChIKeyJCYBPHHDCVHWOB-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.29
Rot. Bonds7

About N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine

N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine (PubChem CID 82926404) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine
PubChem CID82926404
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC NameN-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(OC2CCCCCC2)ccc1Br
InChIInChI=1S/C17H26BrNO2/c1-20-11-10-19-13-14-12-16(8-9-17(14)18)21-15-6-4-2-3-5-7-15/h8-9,12,15,19H,2-7,10-11,13H2,1H3
InChIKeyJCYBPHHDCVHWOB-UHFFFAOYSA-N
XLogP4.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]propan-1-amine
CID 82925799
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
N-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine
CID 66161355
1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine
CID 82930684
N-[(2-bromo-5-methoxyphenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 113410367
N-[[2-bromo-5-(2-phenylmethoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 112752183
N-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107134487
1-bromo-2-chloro-4-cyclohexyloxybenzene
CID 130631642
N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 65323609
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
2-methoxy-N-[[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]methyl]ethanamine
CID 79789241
N-[[5-bromo-3-methyl-2-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine
CID 107134537

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine (CID 82926404) is N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine is COCCNCc1cc(OC2CCCCCC2)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine?
The InChIKey is JCYBPHHDCVHWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-20-11-10-19-13-14-12-16(8-9-17(14)18)21-15-6-4-2-3-5-7-15/h8-9,12,15,19H,2-7,10-11,13H2,1H3.
What are the key properties of N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine?
N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine has a molecular weight of 356.30 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 82926404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).