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

C14H19BrFNO — CID 116761622

IUPAC(5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
SMILESCCOC1(C(N)c2cc(Br)ccc2F)CCCC1
InChIInChI=1S/C14H19BrFNO/c1-2-18-14(7-3-4-8-14)13(17)11-9-10(15)5-6-12(11)16/h5-6,9,13H,2-4,7-8,17H2,1H3
InChIKeyNRIJWCINLWDWEX-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.94
Rot. Bonds4

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

(5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine (PubChem CID 116761622) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
PubChem CID116761622
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name(5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
SMILESCCOC1(C(N)c2cc(Br)ccc2F)CCCC1
InChIInChI=1S/C14H19BrFNO/c1-2-18-14(7-3-4-8-14)13(17)11-9-10(15)5-6-12(11)16/h5-6,9,13H,2-4,7-8,17H2,1H3
InChIKeyNRIJWCINLWDWEX-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine
CID 116770564
(5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753761
(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 106763019
(5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine
CID 116770642
methyl 1-[amino-(5-bromo-2-fluorophenyl)methyl]cyclobutane-1-carboxylate
CID 116944321
2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
CID 116762133
N-[(5-bromo-2-fluorophenyl)-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765825
(5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine
CID 79721756
(1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102755265
1-[amino-(5-bromo-2-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 116944108
2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761557
(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine
CID 116765464

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine (CID 116761622) is (5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine is CCOC1(C(N)c2cc(Br)ccc2F)CCCC1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine?
The InChIKey is NRIJWCINLWDWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-2-18-14(7-3-4-8-14)13(17)11-9-10(15)5-6-12(11)16/h5-6,9,13H,2-4,7-8,17H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine?
(5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine has a molecular weight of 316.21 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine is sourced from PubChem (CID 116761622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).