2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine

C13H20BrNO — CID 82831620

IUPAC2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)(C)OCc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-4-15-10-13(2,3)16-9-11-5-7-12(14)8-6-11/h5-8,15H,4,9-10H2,1-3H3
InChIKeyKPKCSVUDYLPEHA-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.35
Rot. Bonds6

About 2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine

2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine (PubChem CID 82831620) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine
PubChem CID82831620
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)(C)OCc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-4-15-10-13(2,3)16-9-11-5-7-12(14)8-6-11/h5-8,15H,4,9-10H2,1-3H3
InChIKeyKPKCSVUDYLPEHA-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine (CID 82831620) is 2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine is CCNCC(C)(C)OCc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine?
The InChIKey is KPKCSVUDYLPEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-15-10-13(2,3)16-9-11-5-7-12(14)8-6-11/h5-8,15H,4,9-10H2,1-3H3.
What are the key properties of 2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine?
2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 82831620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).