2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine

C15H22BrNO — CID 54971608

IUPAC2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H22BrNO/c1-17-14-6-4-3-5-11(14)9-12-10-13(16)7-8-15(12)18-2/h7-8,10-11,14,17H,3-6,9H2,1-2H3
InChIKeyVPPYHUHJDZCMSG-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.78
Rot. Bonds4

About 2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine

2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 54971608) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID54971608
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H22BrNO/c1-17-14-6-4-3-5-11(14)9-12-10-13(16)7-8-15(12)18-2/h7-8,10-11,14,17H,3-6,9H2,1-2H3
InChIKeyVPPYHUHJDZCMSG-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene
CID 63472769
2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine
CID 102633518
4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926328
2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 81014703
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 114179240
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017189
3-bromo-4-[(5-bromo-2-methoxyphenyl)methyl]thiolane
CID 83189971
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81018146
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
1-[(5-bromo-2-methoxyphenyl)methyl]-3-chlorocycloheptane
CID 64509087
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 115817547
[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224453

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine (CID 54971608) is 2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine is CNC1CCCCC1Cc1cc(Br)ccc1OC.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is VPPYHUHJDZCMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-17-14-6-4-3-5-11(14)9-12-10-13(16)7-8-15(12)18-2/h7-8,10-11,14,17H,3-6,9H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine?
2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 54971608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).