1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine

C17H25BrFNO — CID 106646184

IUPAC1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine
SMILESCCNC(c1cccc(Br)c1F)C(OC)C1CCCCC1
InChIInChI=1S/C17H25BrFNO/c1-3-20-16(13-10-7-11-14(18)15(13)19)17(21-2)12-8-5-4-6-9-12/h7,10-12,16-17,20H,3-6,8-9H2,1-2H3
InChIKeyOPMHTYFYYKLLTJ-UHFFFAOYSA-N
MW358.30 g/mol
LogP4.83
Rot. Bonds6

About 1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine

1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine (PubChem CID 106646184) has the molecular formula C17H25BrFNO and a molecular weight of 358.30 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine
PubChem CID106646184
Molecular FormulaC17H25BrFNO
Molecular Weight358.30 g/mol
Exact Mass357.11
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine
SMILESCCNC(c1cccc(Br)c1F)C(OC)C1CCCCC1
InChIInChI=1S/C17H25BrFNO/c1-3-20-16(13-10-7-11-14(18)15(13)19)17(21-2)12-8-5-4-6-9-12/h7,10-12,16-17,20H,3-6,8-9H2,1-2H3
InChIKeyOPMHTYFYYKLLTJ-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine
CID 106645693
2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine
CID 116771778
N-[1-(3-bromo-2-fluorophenyl)-2-cycloheptylethyl]propan-1-amine
CID 106647563
2-cyclohexyl-N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanamine
CID 116771802
2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine
CID 116771781
1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine
CID 106647929
1,2-dicyclohexyl-N-ethyl-2-methoxyethanamine
CID 116771642
1-(3-bromo-2-fluorophenyl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 106646130
1-[(3-bromo-2-fluorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106645829
N-(2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethyl)propan-1-amine
CID 116722797
3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine
CID 116771653
N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 64712638

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine (CID 106646184) is 1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine is CCNC(c1cccc(Br)c1F)C(OC)C1CCCCC1.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine?
The InChIKey is OPMHTYFYYKLLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFNO/c1-3-20-16(13-10-7-11-14(18)15(13)19)17(21-2)12-8-5-4-6-9-12/h7,10-12,16-17,20H,3-6,8-9H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine?
1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine has a molecular weight of 358.30 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 106646184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).