2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine

C13H20BrNO — CID 62108729

IUPAC2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNCC(OC(C)C)c1cccc(Br)c1
InChIInChI=1S/C13H20BrNO/c1-4-15-9-13(16-10(2)3)11-6-5-7-12(14)8-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyKFVBFBXEGHYLMP-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.52
Rot. Bonds6

About 2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine

2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine (PubChem CID 62108729) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine
PubChem CID62108729
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNCC(OC(C)C)c1cccc(Br)c1
InChIInChI=1S/C13H20BrNO/c1-4-15-9-13(16-10(2)3)11-6-5-7-12(14)8-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyKFVBFBXEGHYLMP-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 62107996
N-[2-(3-bromophenyl)-2-butan-2-yloxyethyl]propan-1-amine
CID 55036561
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 82805323
N-[2-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 55036653
2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 55036296
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
CID 79442906
2-butan-2-yloxy-N-ethyl-2-phenylethanamine
CID 62108738
N-(2-phenyl-2-propan-2-yloxyethyl)propan-1-amine
CID 62108020
2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 79442599
N-[2-(3-bromophenyl)-2-hexoxyethyl]propan-1-amine
CID 63475192
1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine
CID 60819212
2-(3-bromophenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 79443653

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine (CID 62108729) is 2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine is CCNCC(OC(C)C)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The InChIKey is KFVBFBXEGHYLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-15-9-13(16-10(2)3)11-6-5-7-12(14)8-11/h5-8,10,13,15H,4,9H2,1-3H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine has a molecular weight of 286.21 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 62108729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).