1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine

C15H20BrNO — CID 106657320

IUPAC1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCC1)c1cc(OC)ccc1Br
InChIInChI=1S/C15H20BrNO/c1-17-15(11-6-4-3-5-7-11)13-10-12(18-2)8-9-14(13)16/h6,8-10,15,17H,3-5,7H2,1-2H3
InChIKeyJZJYWIKUHAWGFA-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.22
Rot. Bonds4

About 1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine

1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine (PubChem CID 106657320) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
PubChem CID106657320
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCC1)c1cc(OC)ccc1Br
InChIInChI=1S/C15H20BrNO/c1-17-15(11-6-4-3-5-7-11)13-10-12(18-2)8-9-14(13)16/h6,8-10,15,17H,3-5,7H2,1-2H3
InChIKeyJZJYWIKUHAWGFA-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-5-methylphenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 81109444
1-(4-bromo-2-methoxyphenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 115368980
1-(2-bromo-5-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 105095539
1-[(1E)-cycloocten-1-yl]-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107947117
1-(4-chloro-2-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 62077826
1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092588
1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 62079579
1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 105121873
1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine
CID 106657148
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81110285
1-(2-bromo-5-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105175928
1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 106656528

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine (CID 106657320) is 1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine is CNC(C1=CCCCC1)c1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine?
The InChIKey is JZJYWIKUHAWGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-17-15(11-6-4-3-5-7-11)13-10-12(18-2)8-9-14(13)16/h6,8-10,15,17H,3-5,7H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine?
1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine has a molecular weight of 310.24 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine is sourced from PubChem (CID 106657320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).