2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine

C18H30BrNO — CID 103036952

IUPAC2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
SMILESCOC(C)(C)CCC(CNCC(C)C)c1ccccc1Br
InChIInChI=1S/C18H30BrNO/c1-14(2)12-20-13-15(10-11-18(3,4)21-5)16-8-6-7-9-17(16)19/h6-9,14-15,20H,10-13H2,1-5H3
InChIKeyISOIKMZXRWZPLN-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.98
Rot. Bonds9

About 2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine

2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine (PubChem CID 103036952) has the molecular formula C18H30BrNO and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
PubChem CID103036952
Molecular FormulaC18H30BrNO
Molecular Weight356.35 g/mol
Exact Mass355.15
IUPAC Name2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
SMILESCOC(C)(C)CCC(CNCC(C)C)c1ccccc1Br
InChIInChI=1S/C18H30BrNO/c1-14(2)12-20-13-15(10-11-18(3,4)21-5)16-8-6-7-9-17(16)19/h6-9,14-15,20H,10-13H2,1-5H3
InChIKeyISOIKMZXRWZPLN-UHFFFAOYSA-N
XLogP4.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 79448646
6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine
CID 103020013
2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036902
2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930865
2-benzyl-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036646
N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine
CID 66436074
2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 103036937
N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115664067
N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine
CID 79448721
2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
CID 83168332
2-(2-bromophenyl)-5-methyl-N-propan-2-ylhexan-1-amine
CID 79449223
2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine
CID 79449527

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine (CID 103036952) is 2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine is COC(C)(C)CCC(CNCC(C)C)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is ISOIKMZXRWZPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNO/c1-14(2)12-20-13-15(10-11-18(3,4)21-5)16-8-6-7-9-17(16)19/h6-9,14-15,20H,10-13H2,1-5H3.
What are the key properties of 2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine?
2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 356.35 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 103036952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).