(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine

C13H17BrFN — CID 106645707

IUPAC(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(C(N)c2cccc(Br)c2F)C1
InChIInChI=1S/C13H17BrFN/c1-8-5-6-9(7-8)13(16)10-3-2-4-11(14)12(10)15/h2-4,8-9,13H,5-7,16H2,1H3
InChIKeyLDYHDDBTUFCOKQ-UHFFFAOYSA-N
MW286.19 g/mol
LogP4.02
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine

(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine (PubChem CID 106645707) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine
PubChem CID106645707
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(C(N)c2cccc(Br)c2F)C1
InChIInChI=1S/C13H17BrFN/c1-8-5-6-9(7-8)13(16)10-3-2-4-11(14)12(10)15/h2-4,8-9,13H,5-7,16H2,1H3
InChIKeyLDYHDDBTUFCOKQ-UHFFFAOYSA-N
XLogP4.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol
CID 106645085
[(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 106649075
(3-bromo-2-fluorophenyl)-cyclobutylmethanamine
CID 103693583
3-[amino-(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 65415376
1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine
CID 81153500
(3-bromo-2-fluorophenyl)-(thiolan-2-yl)methanamine
CID 106645947
(3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine
CID 106648123
(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine
CID 62965487
(2-bromo-3,4-difluorophenyl)-(4-methylcyclohexyl)methanamine
CID 107538638
(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107953815
(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine
CID 130869354
1-(3-bromo-2-fluorophenyl)butan-1-amine
CID 103692974

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine (CID 106645707) is (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine is CC1CCC(C(N)c2cccc(Br)c2F)C1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine?
The InChIKey is LDYHDDBTUFCOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-8-5-6-9(7-8)13(16)10-3-2-4-11(14)12(10)15/h2-4,8-9,13H,5-7,16H2,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine?
(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine has a molecular weight of 286.19 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 106645707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).