1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine

C14H22BrNO — CID 105013094

IUPAC1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H22BrNO/c1-5-16-14(9-17-10(2)3)12-6-7-13(15)11(4)8-12/h6-8,10,14,16H,5,9H2,1-4H3
InChIKeyTZAZZGGHHNXUIV-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.83
Rot. Bonds6

About 1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine

1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine (PubChem CID 105013094) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
PubChem CID105013094
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H22BrNO/c1-5-16-14(9-17-10(2)3)12-6-7-13(15)11(4)8-12/h6-8,10,14,16H,5,9H2,1-4H3
InChIKeyTZAZZGGHHNXUIV-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 113337160
1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79574237
1-(4-bromo-3-methylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028649
N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
CID 79573891
1-(2-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 107985219
1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575549
N-ethyl-1-(6-methyl-3-pyridinyl)-2-propan-2-yloxyethanamine
CID 105146359
N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013219
1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine
CID 105008200
N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine
CID 105188000
1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412567
1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 115793778

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine (CID 105013094) is 1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine is CCNC(COC(C)C)c1ccc(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The InChIKey is TZAZZGGHHNXUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-5-16-14(9-17-10(2)3)12-6-7-13(15)11(4)8-12/h6-8,10,14,16H,5,9H2,1-4H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine?
1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine has a molecular weight of 300.24 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 105013094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).