1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine

C12H17BrClNO — CID 107946370

IUPAC1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNC(COC(C)C)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H17BrClNO/c1-8(2)16-7-12(15-3)9-4-10(13)6-11(14)5-9/h4-6,8,12,15H,7H2,1-3H3
InChIKeyBIYAIVNPCTUZFF-UHFFFAOYSA-N
MW306.63 g/mol
LogP3.79
Rot. Bonds5

About 1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine

1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine (PubChem CID 107946370) has the molecular formula C12H17BrClNO and a molecular weight of 306.63 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine
PubChem CID107946370
Molecular FormulaC12H17BrClNO
Molecular Weight306.63 g/mol
Exact Mass305.02
IUPAC Name1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNC(COC(C)C)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H17BrClNO/c1-8(2)16-7-12(15-3)9-4-10(13)6-11(14)5-9/h4-6,8,12,15H,7H2,1-3H3
InChIKeyBIYAIVNPCTUZFF-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,5-dibromophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 107979282
1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine
CID 114019196
1-(3-bromo-5-chlorophenyl)-N,5,5-trimethylhex-3-yn-1-amine
CID 114190566
1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine
CID 107945974
1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 107945139
1-(3-bromo-5-chlorophenyl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 107945511
[1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine
CID 107947997
1-(3-bromo-5-chlorophenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 107945284
1-(3-bromo-5-chlorophenyl)-2-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 107946978
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 107945076
1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 107945200
[1-(3-bromo-5-chlorophenyl)-4-methylpentyl]hydrazine
CID 107948109

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine (CID 107946370) is 1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine is CNC(COC(C)C)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine?
The InChIKey is BIYAIVNPCTUZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO/c1-8(2)16-7-12(15-3)9-4-10(13)6-11(14)5-9/h4-6,8,12,15H,7H2,1-3H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine?
1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine has a molecular weight of 306.63 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 107946370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).