2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine

C13H20BrNO — CID 62453543

IUPAC2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(Oc1ccc(Br)cc1)C(C)C
InChIInChI=1S/C13H20BrNO/c1-4-15-9-13(10(2)3)16-12-7-5-11(14)6-8-12/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeySXCJWRVSWJFWPB-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.46
Rot. Bonds6

About 2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine

2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine (PubChem CID 62453543) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine
PubChem CID62453543
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(Oc1ccc(Br)cc1)C(C)C
InChIInChI=1S/C13H20BrNO/c1-4-15-9-13(10(2)3)16-12-7-5-11(14)6-8-12/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeySXCJWRVSWJFWPB-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine
CID 63491979
2-(3,4-dimethylphenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453580
2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 55076972
N-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine
CID 55195060
N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 62486153
2-(4-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 62454236
3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55077780
3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63498370
2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62460334
3-methyl-2-phenoxy-N-propylbutan-1-amine
CID 62454475
N-[2-(4-bromophenoxy)propyl]pentan-2-amine
CID 62572592
2-(4-bromophenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570732

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine (CID 62453543) is 2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine is CCNCC(Oc1ccc(Br)cc1)C(C)C.
What is the InChIKey of 2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is SXCJWRVSWJFWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-15-9-13(10(2)3)16-12-7-5-11(14)6-8-12/h5-8,10,13,15H,4,9H2,1-3H3.
What are the key properties of 2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine?
2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 62453543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).