4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine

C15H22BrNO — CID 116926328

IUPAC4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(Cc2cc(Br)ccc2OC)CC1
InChIInChI=1S/C15H22BrNO/c1-17-14-6-3-11(4-7-14)9-12-10-13(16)5-8-15(12)18-2/h5,8,10-11,14,17H,3-4,6-7,9H2,1-2H3
InChIKeyMJLRABKVQHSZTK-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.78
Rot. Bonds4

About 4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine

4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 116926328) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID116926328
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(Cc2cc(Br)ccc2OC)CC1
InChIInChI=1S/C15H22BrNO/c1-17-14-6-3-11(4-7-14)9-12-10-13(16)5-8-15(12)18-2/h5,8,10-11,14,17H,3-4,6-7,9H2,1-2H3
InChIKeyMJLRABKVQHSZTK-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

2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 54971608
1-[(5-bromo-2-methoxyphenyl)methyl]-3-chlorocycloheptane
CID 64509087
2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 81014703
4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126796
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721
4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene
CID 63472769
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017189
3-bromo-4-[(5-bromo-2-methoxyphenyl)methyl]thiolane
CID 83189971
N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81018729
[2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81012982
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 115817547

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine (CID 116926328) is 4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine is CNC1CCC(Cc2cc(Br)ccc2OC)CC1.
What is the InChIKey of 4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is MJLRABKVQHSZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-17-14-6-3-11(4-7-14)9-12-10-13(16)5-8-15(12)18-2/h5,8,10-11,14,17H,3-4,6-7,9H2,1-2H3.
What are the key properties of 4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine?
4-[(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 4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116926328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).