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

C15H22BrNO — CID 65323362

IUPAC2-[(2-bromo-5-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCOc1ccc(Br)c(CC2CC(C)CCC2N)c1
InChIInChI=1S/C15H22BrNO/c1-10-3-6-15(17)12(7-10)8-11-9-13(18-2)4-5-14(11)16/h4-5,9-10,12,15H,3,6-8,17H2,1-2H3
InChIKeyOHPVTUPHVMTUCH-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.76
Rot. Bonds3

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

2-[(2-bromo-5-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 65323362) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID65323362
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCOc1ccc(Br)c(CC2CC(C)CCC2N)c1
InChIInChI=1S/C15H22BrNO/c1-10-3-6-15(17)12(7-10)8-11-9-13(18-2)4-5-14(11)16/h4-5,9-10,12,15H,3,6-8,17H2,1-2H3
InChIKeyOHPVTUPHVMTUCH-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine
CID 65326004
2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401737
N-[[2-[(2-bromo-5-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81027318
trans-(2S,6S)-2,6-bis[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-one
CID 95387471
4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 65323031
2-[(2-bromo-5-methoxyphenyl)methyl]-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 65327001
3-[(2-bromo-5-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 65326445
N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 65323609
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
1-[(2-bromo-5-methoxyphenyl)methyl]-3-methylpiperidine
CID 65326691
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115302526
3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one
CID 104679407

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine (CID 65323362) is 2-[(2-bromo-5-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine is COc1ccc(Br)c(CC2CC(C)CCC2N)c1.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is OHPVTUPHVMTUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10-3-6-15(17)12(7-10)8-11-9-13(18-2)4-5-14(11)16/h4-5,9-10,12,15H,3,6-8,17H2,1-2H3.
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine?
2-[(2-bromo-5-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 65323362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).