1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine

C13H17BrFNO — CID 64571813

IUPAC1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine
SMILESNC1(COCc2ccc(F)c(Br)c2)CCCC1
InChIInChI=1S/C13H17BrFNO/c14-11-7-10(3-4-12(11)15)8-17-9-13(16)5-1-2-6-13/h3-4,7H,1-2,5-6,8-9,16H2
InChIKeyNWRIILSYBINETR-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.38
Rot. Bonds4

About 1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine

1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine (PubChem CID 64571813) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine
PubChem CID64571813
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine
SMILESNC1(COCc2ccc(F)c(Br)c2)CCCC1
InChIInChI=1S/C13H17BrFNO/c14-11-7-10(3-4-12(11)15)8-17-9-13(16)5-1-2-6-13/h3-4,7H,1-2,5-6,8-9,16H2
InChIKeyNWRIILSYBINETR-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-4-methoxyphenyl)methoxymethyl]cycloheptan-1-amine
CID 64551292
1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine
CID 64573531
2-bromo-1-fluoro-4-[(1-phenylcyclopropyl)methoxymethyl]benzene
CID 13488439
1-[(3,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine
CID 105404480
1-[(2,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine
CID 64551910
1-[(3,4-dimethoxyphenyl)methoxymethyl]cyclopentan-1-amine
CID 64572667
[4-[(1-aminocyclohexyl)methoxymethyl]phenyl]methanol
CID 106938264
2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene
CID 66322231
1-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086513
2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene
CID 106203749
1-(quinolin-6-ylmethoxymethyl)cyclopentan-1-amine
CID 64573735
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079897

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine (CID 64571813) is 1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine is NC1(COCc2ccc(F)c(Br)c2)CCCC1.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine?
The InChIKey is NWRIILSYBINETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c14-11-7-10(3-4-12(11)15)8-17-9-13(16)5-1-2-6-13/h3-4,7H,1-2,5-6,8-9,16H2.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine?
1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine has a molecular weight of 302.19 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 64571813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).