1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine

C16H26BrNO — CID 105139946

IUPAC1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine
SMILESCCNC(CCC(C)(C)C)c1cc(OC)ccc1Br
InChIInChI=1S/C16H26BrNO/c1-6-18-15(9-10-16(2,3)4)13-11-12(19-5)7-8-14(13)17/h7-8,11,15,18H,6,9-10H2,1-5H3
InChIKeyWOTGPVSNONJJLX-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.93
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine

1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine (PubChem CID 105139946) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine
PubChem CID105139946
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine
SMILESCCNC(CCC(C)(C)C)c1cc(OC)ccc1Br
InChIInChI=1S/C16H26BrNO/c1-6-18-15(9-10-16(2,3)4)13-11-12(19-5)7-8-14(13)17/h7-8,11,15,18H,6,9-10H2,1-5H3
InChIKeyWOTGPVSNONJJLX-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine
CID 105164999
1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-1-amine
CID 105102758
1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105138866
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105177265
1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63528581
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81305365
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138597
1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105180870
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66448295
1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 114020071
1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 114209930
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine
CID 105167818

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine (CID 105139946) is 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine is CCNC(CCC(C)(C)C)c1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
The InChIKey is WOTGPVSNONJJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-6-18-15(9-10-16(2,3)4)13-11-12(19-5)7-8-14(13)17/h7-8,11,15,18H,6,9-10H2,1-5H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine has a molecular weight of 328.29 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 105139946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).