1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine

C14H21BrClNO — CID 105044284

IUPAC1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1ccc(Br)c(Cl)c1)C(C)CCOC
InChIInChI=1S/C14H21BrClNO/c1-4-17-14(10(2)7-8-18-3)11-5-6-12(15)13(16)9-11/h5-6,9-10,14,17H,4,7-8H2,1-3H3
InChIKeyURQYKIBHQUODLD-UHFFFAOYSA-N
MW334.69 g/mol
LogP4.43
Rot. Bonds7

About 1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine

1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine (PubChem CID 105044284) has the molecular formula C14H21BrClNO and a molecular weight of 334.69 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
PubChem CID105044284
Molecular FormulaC14H21BrClNO
Molecular Weight334.69 g/mol
Exact Mass333.05
IUPAC Name1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1ccc(Br)c(Cl)c1)C(C)CCOC
InChIInChI=1S/C14H21BrClNO/c1-4-17-14(10(2)7-8-18-3)11-5-6-12(15)13(16)9-11/h5-6,9-10,14,17H,4,7-8H2,1-3H3
InChIKeyURQYKIBHQUODLD-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.69
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044410
1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044614
[1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine
CID 105260868
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044550
1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044758
1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 43492837
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213
N-ethyl-4-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 105185057
1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine
CID 114981903
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 81295824
1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017369
1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine
CID 105007854

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine (CID 105044284) is 1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine is CCNC(c1ccc(Br)c(Cl)c1)C(C)CCOC.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
The InChIKey is URQYKIBHQUODLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClNO/c1-4-17-14(10(2)7-8-18-3)11-5-6-12(15)13(16)9-11/h5-6,9-10,14,17H,4,7-8H2,1-3H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine has a molecular weight of 334.69 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 105044284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).