1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine

C11H15BrClNO — CID 116915052

IUPAC1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine
SMILESCCOc1ccc(C(Br)N(C)C)cc1Cl
InChIInChI=1S/C11H15BrClNO/c1-4-15-10-6-5-8(7-9(10)13)11(12)14(2)3/h5-7,11H,4H2,1-3H3
InChIKeyWRWKLWDPRGZNAL-UHFFFAOYSA-N
MW292.60 g/mol
LogP3.69
Rot. Bonds4

About 1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine

1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine (PubChem CID 116915052) has the molecular formula C11H15BrClNO and a molecular weight of 292.60 g/mol. Its IUPAC name is 1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine
PubChem CID116915052
Molecular FormulaC11H15BrClNO
Molecular Weight292.60 g/mol
Exact Mass291.00
IUPAC Name1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine
SMILESCCOc1ccc(C(Br)N(C)C)cc1Cl
InChIInChI=1S/C11H15BrClNO/c1-4-15-10-6-5-8(7-9(10)13)11(12)14(2)3/h5-7,11H,4H2,1-3H3
InChIKeyWRWKLWDPRGZNAL-UHFFFAOYSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
1-(3-chloro-4-ethoxyphenyl)propan-1-ol
CID 82629836
2-(3-chloro-4-ethoxyphenyl)butan-1-ol
CID 116964115
(3-chloro-4-ethoxyphenyl)-methoxymethanamine
CID 116947279
1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947925
1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one
CID 116859678
2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid
CID 82296775
1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948562
4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene
CID 103211002
2-(3-chloro-4-ethoxyphenyl)-2-(methylamino)acetonitrile
CID 116955010
1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 116934896

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine (CID 116915052) is 1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine is CCOc1ccc(C(Br)N(C)C)cc1Cl.
What is the InChIKey of 1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine?
The InChIKey is WRWKLWDPRGZNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO/c1-4-15-10-6-5-8(7-9(10)13)11(12)14(2)3/h5-7,11H,4H2,1-3H3.
What are the key properties of 1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine?
1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine has a molecular weight of 292.60 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 116915052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).