(5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine

C18H19BrFN — CID 79721756

IUPAC(5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine
SMILESNC(c1cc(Br)ccc1F)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H19BrFN/c19-14-8-9-16(20)15(12-14)17(21)18(10-4-5-11-18)13-6-2-1-3-7-13/h1-3,6-9,12,17H,4-5,10-11,21H2
InChIKeyBVECOAUMSJUGSB-UHFFFAOYSA-N
MW348.26 g/mol
LogP5.10
Rot. Bonds3

About (5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine

(5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine (PubChem CID 79721756) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine
PubChem CID79721756
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC Name(5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine
SMILESNC(c1cc(Br)ccc1F)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H19BrFN/c19-14-8-9-16(20)15(12-14)17(21)18(10-4-5-11-18)13-6-2-1-3-7-13/h1-3,6-9,12,17H,4-5,10-11,21H2
InChIKeyBVECOAUMSJUGSB-UHFFFAOYSA-N
XLogP5.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.26
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine
CID 63080571
(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine
CID 63988826
1-[amino-(5-bromo-2-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 116944108
(5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 116761622
(2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine
CID 63418067
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine
CID 107128712
(4-fluorophenyl)-(1-phenylcyclohexyl)methanamine
CID 63417721
(4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine
CID 63078447
methyl 1-[amino-(5-bromo-2-fluorophenyl)methyl]cyclobutane-1-carboxylate
CID 116944321
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanamine
CID 63080445
[(5-bromo-2-fluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105323101
amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine (CID 79721756) is (5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine is NC(c1cc(Br)ccc1F)C1(c2ccccc2)CCCC1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine?
The InChIKey is BVECOAUMSJUGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c19-14-8-9-16(20)15(12-14)17(21)18(10-4-5-11-18)13-6-2-1-3-7-13/h1-3,6-9,12,17H,4-5,10-11,21H2.
What are the key properties of (5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine?
(5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine has a molecular weight of 348.26 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine is sourced from PubChem (CID 79721756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).