(5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine

C14H19BrFNO — CID 107178298

IUPAC(5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
SMILESCOc1cc(F)c(Br)cc1C(N)C1CCCC1C
InChIInChI=1S/C14H19BrFNO/c1-8-4-3-5-9(8)14(17)10-6-11(15)12(16)7-13(10)18-2/h6-9,14H,3-5,17H2,1-2H3
InChIKeyMITPILCLDIZGOP-UHFFFAOYSA-N
MW316.21 g/mol
LogP4.03
Rot. Bonds3

About (5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine

(5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine (PubChem CID 107178298) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is (5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
PubChem CID107178298
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name(5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
SMILESCOc1cc(F)c(Br)cc1C(N)C1CCCC1C
InChIInChI=1S/C14H19BrFNO/c1-8-4-3-5-9(8)14(17)10-6-11(15)12(16)7-13(10)18-2/h6-9,14H,3-5,17H2,1-2H3
InChIKeyMITPILCLDIZGOP-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177787
(5-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177071
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107178296
1-bromo-5-[bromo-(2-methylcyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396390
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001449
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine
CID 103394387
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 103394303
(2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine
CID 107177000
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 103394465
1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396342
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 103394484
(5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 103394434

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine?
The IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine (CID 107178298) is (5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine.
What is the SMILES notation for (5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine?
The canonical SMILES for (5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine is COc1cc(F)c(Br)cc1C(N)C1CCCC1C.
What is the InChIKey of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine?
The InChIKey is MITPILCLDIZGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-8-4-3-5-9(8)14(17)10-6-11(15)12(16)7-13(10)18-2/h6-9,14H,3-5,17H2,1-2H3.
What are the key properties of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine?
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine has a molecular weight of 316.21 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine is sourced from PubChem (CID 107178298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).