1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine

C14H22BrNO — CID 64535614

IUPAC1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine
SMILESCCNC(Cc1ccc(Br)cc1)C(C)OCC
InChIInChI=1S/C14H22BrNO/c1-4-16-14(11(3)17-5-2)10-12-6-8-13(15)9-7-12/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyZQFRCFBQYFQWJT-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.39
Rot. Bonds7

About 1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine

1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine (PubChem CID 64535614) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine
PubChem CID64535614
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine
SMILESCCNC(Cc1ccc(Br)cc1)C(C)OCC
InChIInChI=1S/C14H22BrNO/c1-4-16-14(11(3)17-5-2)10-12-6-8-13(15)9-7-12/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyZQFRCFBQYFQWJT-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718032
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 64533791
3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79496291
4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine
CID 60995739
1-(4-bromophenyl)-N-ethylpentan-2-amine
CID 60819872
3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 116721457
1-(4-bromophenyl)-N-ethylbutan-2-amine
CID 60819705
1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 61066271
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine
CID 64535624
1-(3-bromo-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 116721392
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 112653738
3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723713

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine (CID 64535614) is 1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine is CCNC(Cc1ccc(Br)cc1)C(C)OCC.
What is the InChIKey of 1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine?
The InChIKey is ZQFRCFBQYFQWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-16-14(11(3)17-5-2)10-12-6-8-13(15)9-7-12/h6-9,11,14,16H,4-5,10H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine?
1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine has a molecular weight of 300.24 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine is sourced from PubChem (CID 64535614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).