1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine

C14H22BrNO — CID 43493527

IUPAC1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc(Br)ccc1OCC)C(C)C
InChIInChI=1S/C14H22BrNO/c1-5-16-14(10(3)4)12-9-11(15)7-8-13(12)17-6-2/h7-10,14,16H,5-6H2,1-4H3
InChIKeyQYTNXNQBBQGHBS-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.15
Rot. Bonds6

About 1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine

1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 43493527) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
PubChem CID43493527
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc(Br)ccc1OCC)C(C)C
InChIInChI=1S/C14H22BrNO/c1-5-16-14(10(3)4)12-9-11(15)7-8-13(12)17-6-2/h7-10,14,16H,5-6H2,1-4H3
InChIKeyQYTNXNQBBQGHBS-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine
CID 43493531
1-(2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 62802882
1-(5-bromo-2-ethoxyphenyl)-2-methylpropan-1-amine
CID 43243937
N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine
CID 43493559
1-(5-bromo-2-ethoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518718
N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 43493518
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63500340
1-[5-bromo-2-(4-methylpentoxy)phenyl]-N-ethylethanamine
CID 82976012
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
N-[(5-bromo-2-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine
CID 43493535

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine (CID 43493527) is 1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine is CCNC(c1cc(Br)ccc1OCC)C(C)C.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is QYTNXNQBBQGHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-5-16-14(10(3)4)12-9-11(15)7-8-13(12)17-6-2/h7-10,14,16H,5-6H2,1-4H3.
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 43493527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).