N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine

C17H26BrNO — CID 64739355

IUPACN-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
SMILESCCNCc1cc(Br)ccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C17H26BrNO/c1-4-19-11-14-10-15(18)6-8-17(14)20-16-7-5-12(2)13(3)9-16/h6,8,10,12-13,16,19H,4-5,7,9,11H2,1-3H3
InChIKeyCIDMEOIVNUDQPK-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.76
Rot. Bonds5

About N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine

N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine (PubChem CID 64739355) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
PubChem CID64739355
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
SMILESCCNCc1cc(Br)ccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C17H26BrNO/c1-4-19-11-14-10-15(18)6-8-17(14)20-16-7-5-12(2)13(3)9-16/h6,8,10,12-13,16,19H,4-5,7,9,11H2,1-3H3
InChIKeyCIDMEOIVNUDQPK-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol
CID 64738178
N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64737947
N-[[3-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64739556
N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292192
N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64748066
N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
CID 115952581
N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 114319168
N-[(5-bromo-2-cycloheptyloxyphenyl)methyl]-2-methylpropan-1-amine
CID 82927406
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine
CID 117460990
4-bromo-1-(3,4-dimethylcyclohexyl)oxy-2-nitrobenzene
CID 64745600
N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 64739927
2-(bromomethyl)-4-chloro-1-(3,4-dimethylcyclohexyl)oxybenzene
CID 64740768

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine (CID 64739355) is N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine is CCNCc1cc(Br)ccc1OC1CCC(C)C(C)C1.
What is the InChIKey of N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine?
The InChIKey is CIDMEOIVNUDQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-4-19-11-14-10-15(18)6-8-17(14)20-16-7-5-12(2)13(3)9-16/h6,8,10,12-13,16,19H,4-5,7,9,11H2,1-3H3.
What are the key properties of N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine?
N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine has a molecular weight of 340.31 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine is sourced from PubChem (CID 64739355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).